643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	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[6,6a]-3:C[5,6]-3:C[5]-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)	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	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>}	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	117.6780	7.655	5	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<7>,1|H<1>,4|C<3>}	116.4000	0.000	1	115.9335	0.435	2	116.5062	1.054	4	117.6780	7.655	5	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<8>,1|H<1>,4|C<3>}	115.4670	0.000	1	115.9335	0.435	2	116.5062	1.054	4	117.6780	7.655	5	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	116.2380	0.000	1	116.2380	0.000	1	116.5062	1.054	4	117.6780	7.655	5	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Pd<4>,1|H<1>,4|C<3>}	117.9200	0.000	1	117.9200	0.000	1	116.5062	1.054	4	117.6780	7.655	5	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>,2|F<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF){1|B<4>,1|H<1>,4|C<3>}	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	116.0530	1.196	3	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[5,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	116.6620	0.407	2	116.6620	0.166	2	116.6620	0.166	2	116.0530	1.196	3	117.0686	5.423	8	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|C<4>,2|O<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2){4|C<3>}	115.4573	1.056	4	115.4573	1.116	4	115.4425	0.757	6	115.3155	0.848	24	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2){4|C<3>}	115.4130	0.660	2	115.4130	0.436	2	115.4425	0.757	6	115.3155	0.848	24	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	115.1423	0.961	8	115.1423	0.924	8	115.2731	0.917	18	115.3155	0.848	24	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	115.2684	1.074	8	115.3778	0.986	10	115.2731	0.917	18	115.3155	0.848	24	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	115.8155	0.564	2	115.3778	0.986	10	115.2731	0.917	18	115.3155	0.848	24	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	115.4890	0.000	1	115.4890	0.000	1	116.3815	1.593	2	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5]){1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	117.2740	0.000	1	117.2740	0.000	1	116.3815	1.593	2	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5]){3|C<3>,3|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	117.6410	0.000	1	117.6410	0.000	1	117.6410	0.000	1	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C){1|C<3>,1|S<2>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	117.9500	0.000	1	117.9500	0.000	1	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H){1|C<3>,1|N<3>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	116.5540	0.000	1	116.5540	0.000	1	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5]){2|C<3>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	115.9730	0.000	1	115.9730	0.000	1	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5]){1|C<3>,1|H<1>,4|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	117.0150	0.000	1	117.0150	0.000	1	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	118.3600	0.000	1	118.3600	0.000	1	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|Cl<1>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	118.0055	2.016	2	118.0055	4.064	2	117.4090	1.487	7	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:2:3:	3:3:	3:4:4:	N[6a]-2:O[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5])	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5]){1|C<3>,4|C<4>}	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	117.6262	2.990	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5]){1|Rh<6>,1|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	113.6620	0.000	1	113.6620	0.000	1	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	115.3050	0.000	1	115.3050	0.000	1	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	115.6550	1.113	2	115.6550	1.239	2	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	114.2870	0.000	1	114.2870	0.000	1	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	115.5020	0.000	1	115.5020	0.000	1	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	113.2487	0.867	3	113.2487	0.752	3	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Pd)(N[5]C[5]2){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	119.4420	0.000	1	119.4420	0.000	1	114.9254	3.902	10	114.8858	3.529	11	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:4:3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O){3|H<1>,4|C<3>}	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:4:4:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	117.6890	0.204	2	117.6890	0.041	2	117.6890	0.041	2	117.6598	0.159	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N[5]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5])	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5]){2|C<4>,4|C<3>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	117.6403	0.545	3	117.6403	0.296	3	117.6403	0.296	3	117.6598	0.159	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	115.9292	0.217	4	115.9292	0.047	4	115.9292	0.047	4	115.9292	0.047	4	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,4|C<3>}	115.6635	0.532	2	115.6635	0.284	2	115.4582	1.304	6	115.4582	1.304	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	116.5755	0.383	2	116.5755	0.146	2	115.4582	1.304	6	115.4582	1.304	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	N[6a](C[6a]N[6a]N[5])2{5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	114.1355	0.090	2	114.1355	0.008	2	115.4582	1.304	6	115.4582	1.304	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	116.8495	0.975	4	116.8495	0.950	4	116.6999	1.083	8	116.6999	1.083	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	116.7110	1.549	2	116.7110	2.398	2	116.6999	1.083	8	116.6999	1.083	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	116.3895	1.432	2	116.3895	2.050	2	116.6999	1.083	8	116.6999	1.083	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	115.5035	0.209	2	115.5035	0.044	2	117.4095	4.861	4	117.4095	4.861	4	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:4:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	119.3155	0.093	2	119.3155	0.009	2	117.4095	4.861	4	117.4095	4.861	4	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:4:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	116.4880	0.580	2	116.4880	0.336	2	116.4880	0.336	2	116.4880	0.336	2	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	4:3:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5])	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|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>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	114.4310	0.000	1	114.4310	0.000	1	116.3517	3.799	8	116.3517	3.799	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	4:3:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	116.1190	1.629	4	116.1190	2.655	4	116.3517	3.799	8	116.3517	3.799	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	4:3:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	118.9890	0.000	1	118.9890	0.000	1	116.3517	3.799	8	116.3517	3.799	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	4:3:2:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	116.4590	2.783	2	116.4590	7.746	2	116.3517	3.799	8	116.3517	3.799	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	4:3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	115.9520	1.206	2	115.9520	1.455	2	115.9520	1.455	2	115.9520	1.455	2	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	113.5530	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	115.3485	0.136	2	115.3485	0.019	2	114.7401	0.314	8	114.7401	0.314	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|C<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){2|H<1>,3|C<3>}	114.5373	0.489	6	114.5373	0.239	6	114.7401	0.314	8	114.7401	0.314	8	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	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[6a]-3:C[5]-3:C[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)	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2	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>}	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,4|C<4>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	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[6a]-3:C[5]-3:C[5]-3:	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)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2	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>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2{1|N<2>,2|C<3>,4|C<4>}	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2){1|I<1>,6|C<3>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2{3|C<3>,4|H<1>}	114.0640	0.000	1	114.0640	0.000	1	114.0640	0.000	1	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|H<1>,3|C<4>}	114.2178	0.306	5	114.2178	0.094	5	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2{2|C<3>,2|H<1>,3|C<4>}	114.6960	0.000	1	114.6960	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	112.2870	0.000	1	113.1110	0.642	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	113.5230	0.515	2	113.1110	0.642	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	114.8290	0.000	1	114.8290	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	114.1770	0.000	1	114.4680	0.063	4	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	114.4610	0.000	1	114.4680	0.063	4	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	114.6170	0.246	2	114.4680	0.063	4	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	113.9100	0.000	1	113.9100	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])2{2|C<4>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	112.1675	1.578	2	112.1675	2.489	2	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.6420	0.000	1	113.6420	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.5220	0.000	1	113.5220	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.4660	0.000	1	113.4660	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|C<4>,3|H<1>}	115.5705	0.037	2	115.5705	0.001	2	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	115.3840	0.000	1	115.4963	0.010	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	115.5525	0.026	2	115.4963	0.010	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	114.7180	0.000	1	114.7180	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.4480	0.322	2	113.6246	0.087	10	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.6472	0.261	5	113.6246	0.087	10	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Co<8>,2|C<3>,2|H<1>}	113.8440	0.000	1	113.6246	0.087	10	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	113.6350	0.542	2	113.6246	0.087	10	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	115.4600	0.000	1	115.4600	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Co<6>,1|H<1>,2|C<3>}	114.4740	0.000	1	114.4740	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	116.4040	0.000	2	114.7140	1.634	8	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	115.0050	0.000	1	114.7140	1.634	8	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	114.4990	0.663	3	114.7140	1.634	8	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	113.2010	0.215	2	114.7140	1.634	8	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	117.6730	5.313	2	117.6730	28.230	2	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	116.0848	0.630	6	116.0848	0.397	6	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.1280	0.419	9	113.1280	0.176	9	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Cd<6>,1|H<1>,2|C<3>}	113.1780	0.000	1	113.1780	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Rh<6>,1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){2|H<1>,3|C<3>}	113.8990	0.000	1	113.8990	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>}	114.7383	0.249	7	114.7383	0.062	7	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,3|C<3>}	116.0230	0.000	1	116.0230	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.5105	1.075	58	113.5105	1.155	58	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	113.2515	0.186	2	112.7880	0.662	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	111.8610	0.000	1	112.7880	0.662	3	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	111.8980	0.000	1	111.8980	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){1|N<2>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	113.4400	0.000	1	113.4400	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Co<6>,1|H<1>,2|C<3>}	113.4140	0.000	1	113.4140	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Ir<8>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	117.5740	0.000	1	117.5740	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]Rh)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Rh<8>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	118.2120	0.000	1	118.2120	0.000	1	113.9980	1.958	139	114.0391	2.035	142	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	113.3420	0.000	2	113.3420	0.000	2	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	113.6680	0.000	1	113.6680	0.000	1	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,4|C<3>}	113.5210	0.000	1	113.5210	0.000	1	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	113.7210	0.413	3	113.7210	0.171	3	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	114.5610	0.000	1	114.5610	0.000	1	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	114.1750	0.000	1	114.1750	0.000	1	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	113.2070	0.000	1	113.2070	0.000	1	113.6979	0.205	10	113.6979	0.205	10	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	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)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	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>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	114.8080	0.000	1	114.8080	0.000	1	117.3431	1.040	9	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	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)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	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>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	117.9590	0.102	2	117.9590	0.010	2	117.3431	1.040	9	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	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)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	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>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	117.5603	0.409	6	117.5603	0.168	6	117.3431	1.040	9	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5]){1|C<2>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	114.2482	0.432	4	114.2482	0.186	4	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	114.5110	0.000	1	114.5110	0.000	1	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	115.3590	1.084	3	115.3590	1.174	3	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	116.5950	0.000	1	116.5950	0.000	1	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	116.4320	0.891	2	116.4320	0.794	2	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5]){1|C<3>,1|H<1>,4|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	116.4310	0.000	1	116.4310	0.000	1	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	114.6010	0.000	1	114.6010	0.000	1	115.2363	1.226	13	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	N[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,4|H<1>}	116.6260	0.000	1	116.6260	0.000	1	116.6260	0.000	1	116.1211	2.132	23	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	4:3:3:	N[5]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	114.4530	0.580	4	114.4530	0.336	4	114.4530	0.336	4	114.4530	0.336	4	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:2:	N[5]-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](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]){1|N<3>,2|H<1>,4|C<3>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.6746	0.061	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:2:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	113.7270	0.000	1	113.6380	0.073	4	113.6380	0.073	4	113.6746	0.061	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:2:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	113.4240	0.057	2	113.6380	0.073	4	113.6380	0.073	4	113.6746	0.061	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:2:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|H<1>,3|C<3>}	113.9770	0.000	1	113.6380	0.073	4	113.6380	0.073	4	113.6746	0.061	5	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C){1|Ru<9>,2|H<1>,4|C<3>}	115.1440	0.000	1	115.1440	0.000	1	114.3577	0.723	7	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	114.8410	0.300	3	114.8410	0.090	3	114.3577	0.723	7	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	112.7290	0.000	1	112.7290	0.000	1	114.3577	0.723	7	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	114.0540	0.052	2	114.0540	0.003	2	114.3577	0.723	7	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	114.0570	0.000	1	114.0570	0.000	1	116.1570	4.482	6	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C){2|H<1>,3|C<3>}	116.5770	2.069	5	116.5770	4.279	5	116.1570	4.482	6	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a]V)(N[6a]C[6a])	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	N[5](C[6a]N[6a]2)(C[5]C[5]C)(N[5]C[5]V)	C[6a](N[5]C[5]N[5])(N[6a]C[6a]V)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|N<3>,1|V<5>,2|C<3>}	N[5](C[6a]N[6a]2)(C[5]C[5]C)(N[5]C[5]V){1|C<4>,1|H<1>,2|C<3>}	122.2440	0.023	2	122.2440	0.001	2	122.2440	0.001	2	116.2031	8.321	16	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	114.1600	0.000	1	114.2830	0.030	2	115.0047	0.751	6	115.0047	0.751	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	114.4060	0.000	1	114.2830	0.030	2	115.0047	0.751	6	115.0047	0.751	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	116.0955	0.070	2	116.0955	0.005	2	115.0047	0.751	6	115.0047	0.751	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	114.6355	0.163	2	114.6355	0.027	2	115.0047	0.751	6	115.0047	0.751	6	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:2:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:4:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-4:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP2	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	4:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	114.9208	3.317	306	114.9755	3.469	314
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	2:3:3:	3:3:	3:4:2:	N[6a]-2:N[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5])	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5]){3|H<1>,5|C<3>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	116.8845	0.948	2	116.8845	0.899	2	116.6971	0.726	10	116.6971	0.726	10	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	116.9510	1.788	2	116.6502	0.792	8	116.6971	0.726	10	116.6971	0.726	10	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	116.6565	1.295	2	116.6502	0.792	8	116.6971	0.726	10	116.6971	0.726	10	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:2:	3:3:	3:3:4:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	116.4968	0.363	4	116.6502	0.792	8	116.6971	0.726	10	116.6971	0.726	10	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	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)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	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>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	116.0850	1.319	2	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:2:3:	3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2{1|N<3>,2|C<3>,4|H<1>}	116.8970	0.000	1	116.8970	0.000	1	116.8970	0.000	1	116.0850	1.319	2	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:3:4:	N[5]-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](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:2:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	116.2647	4.055	17	116.2647	4.055	17
643	371	542	0:SP2_SP2_SP3	C[6a]	N[6a]	N[5]	3:3:2:	3:3:	3:4:3:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	116.2647	4.055	17	116.2647	4.055	17
643	371	610	0:SP2_SP2_SP3	C[6a]	N[6a]	B	4:3:2:	3:3:	3:3:3:3:	B-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6a]-3:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H)	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	B(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	118.1103	1.154	10	118.1103	1.332	10	118.1103	1.332	10	118.1103	1.332	10	118.1103	1.332	10	118.1103	1.332	10
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	110.4640	0.392	2	110.4640	0.153	2	110.4640	0.153	2	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6]){2|C<3>,2|H<1>,3|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	112.4060	0.429	2	112.4060	0.184	2	112.4060	0.184	2	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	111.7040	0.000	1	111.7040	0.000	1	114.3573	5.286	3	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	115.6840	0.110	2	115.6840	0.012	2	114.3573	5.286	3	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	116.3685	0.203	2	116.1593	0.077	4	116.1593	0.077	4	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	115.9500	0.124	2	116.1593	0.077	4	116.1593	0.077	4	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N){1|C<4>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	110.0150	0.000	1	110.0150	0.000	1	114.1891	3.970	7	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	114.1570	0.000	1	114.1570	0.000	1	114.1891	3.970	7	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	113.5280	0.000	1	113.5280	0.000	1	114.1891	3.970	7	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	115.4060	0.112	4	115.4060	0.013	4	114.1891	3.970	7	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N){1|C<2>,1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	110.5665	0.354	2	110.5665	0.126	2	112.4573	5.956	6	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	111.4180	0.000	1	111.2315	0.070	2	112.4573	5.956	6	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	111.0450	0.000	1	111.2315	0.070	2	112.4573	5.956	6	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<2>,1|N<2>,1|O<2>,3|C<3>}	115.5740	0.021	2	115.5740	0.000	2	112.4573	5.956	6	113.5288	5.483	26	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH){1|N<2>,3|C<3>}	113.3930	0.000	1	113.3930	0.000	1	112.0362	0.742	6	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a]){1|C<4>,5|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	112.6100	0.000	1	112.6100	0.000	1	112.0362	0.742	6	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	110.9570	0.000	1	110.9570	0.000	1	112.0362	0.742	6	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	111.7523	0.260	3	111.7523	0.068	3	112.0362	0.742	6	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	113.2360	0.000	1	113.2360	0.000	1	114.8883	2.176	3	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|N<2>,1|S<2>,2|C<3>}	115.7145	0.507	2	115.7145	0.257	2	114.8883	2.176	3	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	622	0:SP2_SP2_SP2	C[6,6a]	N[6a]	O[6]	3:2:2:	3:3:	3:4:	N[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O)	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>}	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	113.1345	2.922	10	113.4193	4.700	36	113.4193	4.700	36
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.5885	0.196	4	116.5885	0.038	4	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){2|H<1>,2|N<3>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	117.2080	0.000	1	117.2080	0.000	1	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){2|H<1>,2|N<3>,4|C<3>}	117.6680	0.000	1	117.6680	0.000	1	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	117.3605	0.469	2	117.3605	0.220	2	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.1575	0.448	2	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.0730	0.735	2	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	117.6640	1.015	12	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.5615	0.438	2	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	117.1720	0.228	2	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	119.3060	0.509	2	117.9322	0.920	22	117.6820	0.905	30	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	118.3760	0.082	2	118.3760	0.007	2	118.3760	0.007	2	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	117.4487	0.362	6	117.4487	0.131	6	117.4487	0.131	6	117.7177	0.797	40	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[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[6,6a]-3:C[6,6a]-3:C[6a]-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[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,7|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2){7|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	118.7080	0.000	1	118.7080	0.000	1	118.3490	0.258	2	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	117.9900	0.000	1	117.9900	0.000	1	118.3490	0.258	2	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.5160	0.000	1	115.9119	0.851	10	116.3078	1.259	13	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.4472	0.283	6	115.9119	0.851	10	116.3078	1.259	13	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	114.6400	0.399	3	115.9119	0.851	10	116.3078	1.259	13	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.6277	0.575	3	117.6277	0.330	3	116.3078	1.259	13	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.6940	0.116	2	116.4550	0.084	4	116.4550	0.084	4	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){3|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.2160	0.096	2	116.4550	0.084	4	116.4550	0.084	4	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(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]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	116.8330	0.000	1	116.8330	0.000	1	116.8330	0.000	1	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.3400	0.250	2	117.3400	0.063	2	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.8200	0.194	2	116.8200	0.038	2	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.8640	0.000	1	116.8640	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.1590	0.000	1	116.1590	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.1820	0.000	1	117.1820	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(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[6,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.8970	0.038	2	117.8970	0.001	2	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.8010	0.000	1	117.8010	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.7430	0.000	1	118.7430	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	116.7200	0.000	1	117.6315	1.662	2	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.5430	0.000	1	117.6315	1.662	2	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	118.3160	0.000	1	118.3160	0.000	1	117.4601	0.590	14	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	116.7210	0.113	2	116.7210	0.013	2	116.7210	0.013	2	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	117.8000	0.021	2	118.0819	0.224	7	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	118.1946	0.530	5	118.0819	0.224	7	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	117.9510	0.000	1	117.9510	0.000	1	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(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[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	117.2450	0.007	2	117.2450	0.000	2	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	117.8625	0.669	4	117.8625	0.447	4	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.6780	0.000	1	117.5310	0.043	2	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(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[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.3840	0.000	1	117.5310	0.043	2	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.5830	0.000	1	118.0733	1.666	3	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.8070	0.000	1	118.0733	1.666	3	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.8300	0.000	1	118.0733	1.666	3	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	118.1750	0.000	1	118.1750	0.000	1	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.5150	0.000	1	119.5150	0.000	1	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	120.8125	0.070	2	120.8125	0.005	2	118.2200	1.128	23	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	120.6440	0.717	2	120.7200	0.274	3	120.7200	0.274	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	120.8720	0.000	1	120.7200	0.274	3	120.7200	0.274	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.9365	1.271	2	116.9365	1.615	2	117.8760	3.455	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.7550	0.000	1	119.7550	0.000	1	117.8760	3.455	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.0835	0.503	2	117.0835	0.253	2	118.1637	3.627	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.3240	0.000	1	120.3240	0.000	1	118.1637	3.627	3	117.6462	2.048	70	117.6722	1.583	110	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	118.5010	0.499	2	118.5010	0.249	2	118.4903	0.098	6	118.4903	0.098	6	118.4903	0.098	6	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(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[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	118.4850	0.283	4	118.4850	0.080	4	118.4903	0.098	6	118.4903	0.098	6	118.4903	0.098	6	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|C<3>,2|H<1>,3|N<2>}	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-2:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]){1|Br<1>,2|H<1>,4|C<3>}	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	117.0440	0.342	2	117.0440	0.117	2	117.2773	0.222	3	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	117.7440	0.000	1	117.7440	0.000	1	117.2773	0.222	3	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	118.5515	0.849	2	117.8825	0.837	4	117.8825	0.837	4	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]O[6])(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[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>}	117.2135	0.028	2	117.8825	0.837	4	117.8825	0.837	4	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	117.5407	0.752	9	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){3|H<1>,4|C<3>}	117.6430	0.066	3	117.6430	0.004	3	117.6430	0.004	3	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5]){2|C<4>,4|H<1>,5|C<3>}	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	116.7960	0.410	5	117.1320	0.315	8	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	117.6920	0.109	3	117.1320	0.315	8	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	119.4930	0.000	1	119.4930	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	117.4847	0.528	12	117.4847	0.279	12	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B){3|H<1>,4|C<3>}	119.2610	0.161	2	119.2610	0.026	2	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	119.5730	0.000	1	119.5730	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	117.0810	0.000	1	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(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[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.9340	0.000	1	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	117.0470	0.000	1	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	116.7763	0.552	3	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Ir<6>,2|H<1>,4|C<3>}	117.9775	0.288	2	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	117.8388	0.539	73	117.7849	0.325	81	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<5>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si){3|H<1>,4|C<3>}	115.8500	0.000	1	115.8500	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	116.7440	0.000	1	116.7440	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	117.0680	0.000	1	117.0680	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	120.8070	0.000	1	120.8070	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(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[6a,6a]C[6,6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	118.2900	0.000	1	118.2900	0.000	1	117.7618	0.559	110	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	118.8730	0.327	2	118.8730	0.107	2	118.8730	0.107	2	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2080	0.000	1	118.2150	0.037	3	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	118.2185	0.271	2	118.2150	0.037	3	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.8940	1.905	3	118.2125	2.824	4	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<2>,1|N<2>,1|N<3>,3|C<3>}	119.1680	0.000	1	118.2125	2.824	4	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Bi<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0952	0.746	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0825	0.261	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<7>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2175	0.060	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cr<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.9968	0.496	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.4116	0.272	10	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2267	0.116	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Eu<13>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.3425	0.643	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.5113	0.287	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1600	0.082	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2717	0.381	3	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1415	0.435	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Os<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.4525	2.399	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0985	2.235	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1850	0.592	8	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.3955	0.403	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2138	0.605	4	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0600	0.470	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.1545	0.240	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.6080	0.187	2	118.2585	0.373	65	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1420	0.000	1	118.5568	0.422	5	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|N<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.6605	0.701	4	118.5568	0.422	5	118.2738	0.454	77	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.7900	0.270	2	117.7900	0.073	2	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.1243	0.244	4	118.0668	0.190	10	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.7905	0.028	2	118.0668	0.190	10	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.6260	0.000	1	118.0668	0.190	10	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Sn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.8170	0.000	1	118.0668	0.190	10	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.5735	0.769	2	118.0668	0.190	10	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2730	0.110	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.6500	0.178	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2067	0.552	11	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.7285	0.514	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.9848	0.508	6	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Eu<13>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.8800	0.000	1	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.2043	0.205	9	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.4292	0.458	4	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.9440	0.393	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.7790	0.981	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.4440	1.062	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.9755	1.087	12	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.9270	1.413	2	118.0845	0.448	57	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	114.9500	0.000	1	114.9500	0.000	1	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	118.1920	0.000	1	118.4315	0.115	2	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	118.6710	0.000	1	118.4315	0.115	2	118.0400	0.522	72	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	118.9260	0.000	1	118.9260	0.000	1	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	116.9090	0.000	1	117.0190	0.023	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	117.1910	0.000	1	117.0190	0.023	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	116.9570	0.000	1	117.0190	0.023	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	117.1570	0.000	1	117.0333	0.014	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	116.9715	0.071	2	117.0333	0.014	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	117.2100	0.355	3	117.2100	0.126	3	117.2713	0.382	10	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	117.9935	0.630	278	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	118.0255	0.429	2	118.0255	0.184	2	118.0633	0.096	3	118.0633	0.096	3	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.1390	0.000	1	118.1390	0.000	1	118.0633	0.096	3	118.0633	0.096	3	117.9801	0.630	291	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	120.4290	0.074	2	120.4290	0.005	2	120.4290	0.005	2	118.3463	2.480	7	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	118.3463	2.480	7	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a]){1|N<3>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	118.1530	0.000	2	118.1530	0.000	2	117.4518	0.884	4	118.3463	2.480	7	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.3360	0.000	1	117.3360	0.000	1	117.4518	0.884	4	118.3463	2.480	7	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	116.1650	0.000	1	116.1650	0.000	1	117.4518	0.884	4	118.3463	2.480	7	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	118.2055	0.241	2	118.2055	0.058	2	118.2073	0.037	4	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	118.2090	0.232	2	118.2090	0.054	2	118.2073	0.037	4	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|N<2>,6|C<3>}	117.8450	0.008	2	117.8450	0.000	2	117.8450	0.000	2	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	118.1325	0.465	4	118.1325	0.216	4	118.1325	0.216	4	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	118.5160	0.594	2	118.5160	0.353	2	118.5160	0.353	2	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.1445	0.286	2	118.1445	0.082	2	118.1445	0.082	2	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.1625	0.863	2	118.1625	0.745	2	118.1283	0.283	32	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	118.1260	0.526	30	118.1260	0.276	30	118.1283	0.283	32	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.3017	0.455	7	117.3017	0.207	7	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	118.1790	0.129	2	118.1790	0.017	2	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.0750	0.390	2	117.2685	0.919	4	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.4620	0.059	2	117.2685	0.919	4	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.6770	0.565	31	117.3705	0.428	62	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	117.0641	0.597	31	117.3705	0.428	62	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	117.5934	0.406	54	117.5934	0.165	54	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	116.8900	0.297	2	116.8900	0.088	2	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.2330	0.000	1	117.2902	0.449	16	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	116.9052	0.463	10	117.2902	0.449	16	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	117.6660	0.000	1	117.2902	0.449	16	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.2620	0.076	2	117.2902	0.449	16	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	118.0840	0.156	2	117.2902	0.449	16	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	117.9130	0.367	3	118.0673	0.084	6	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.2217	0.072	3	118.0673	0.084	6	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	119.3040	0.000	1	118.9660	0.106	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.7970	0.202	2	118.9660	0.106	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	118.1950	0.024	2	118.5065	0.315	20	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.3755	0.708	6	118.5065	0.315	20	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.7077	0.422	10	118.5065	0.315	20	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2055	1.001	2	118.5065	0.315	20	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Br<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	117.4610	0.339	3	117.4610	0.115	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.3234	0.731	36	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.1695	0.261	2	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	117.7850	0.516	6	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	118.6273	0.618	9	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.4160	0.255	2	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.4715	0.330	4	118.3229	0.452	59	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	118.7300	0.000	1	116.1420	5.024	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|Cl<1>,4|C<3>}	114.8480	0.037	2	116.1420	5.024	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	118.5435	0.274	2	118.5435	0.075	2	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	118.2010	0.264	6	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2380	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.6610	0.621	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	117.8565	0.108	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	117.7155	0.183	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	117.2528	0.932	6	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	117.6440	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	117.5600	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.3628	0.661	4	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	117.5540	1.210	5	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.0010	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	117.3055	0.847	15	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2255	0.549	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.7700	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.3385	0.699	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	117.6895	0.469	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Br<1>,1|H<1>,5|C<3>}	118.5407	0.312	3	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	118.8970	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.4375	0.647	2	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.7920	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	118.5249	0.203	8	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.3983	0.089	3	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.7095	0.848	17	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.4806	0.835	205	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.6232	0.411	4	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.9720	0.000	1	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.6860	0.444	12	118.3696	0.724	310	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.2930	0.141	2	118.2930	0.020	2	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.9110	0.000	1	118.9110	0.000	1	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	118.4955	0.291	2	118.6808	0.059	5	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.8043	0.138	3	118.6808	0.059	5	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){3|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){2|N<2>,4|C<3>}	118.9823	0.690	12	118.9823	0.477	12	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	118.2307	0.597	18	118.2495	0.349	21	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|O<2>,2|N<2>,3|C<3>}	118.3627	0.666	3	118.2495	0.349	21	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	118.4477	0.735	12	118.4477	0.540	12	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	118.4007	0.507	3	118.4007	0.257	3	118.1436	0.750	609	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	118.1449	0.714	656	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	117.7130	0.000	1	117.7130	0.000	1	119.1960	1.768	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	118.5590	0.000	1	118.5590	0.000	1	119.1960	1.768	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]O){1|O<2>,6|C<3>}	120.2560	0.672	2	120.2560	0.451	2	119.1960	1.768	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|F<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.0160	0.000	1	119.4657	0.223	3	119.4657	0.223	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	119.9570	0.000	1	119.4657	0.223	3	119.4657	0.223	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.4240	0.000	1	119.4657	0.223	3	119.4657	0.223	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){3|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.7390	0.000	1	117.7390	0.000	1	117.7215	0.001	2	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.7040	0.000	1	117.7040	0.000	1	117.7215	0.001	2	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	117.8945	0.105	2	117.8945	0.011	2	117.2039	2.299	8	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.6180	0.000	1	116.6180	0.000	1	117.2039	2.299	8	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.4410	0.025	3	118.4410	0.001	3	117.2039	2.299	8	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[5a,6a]){1|H<1>,7|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.9505	0.185	2	114.9505	0.034	2	117.2039	2.299	8	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.6300	0.000	1	117.4663	0.087	3	117.4663	0.087	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.1250	0.000	1	117.4663	0.087	3	117.4663	0.087	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.6440	0.000	1	117.4663	0.087	3	117.4663	0.087	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9934	0.375	5	117.9934	0.141	5	117.9934	0.141	5	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	118.3675	0.131	2	118.3675	0.017	2	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,5|C<3>}	118.8725	0.090	2	118.8053	0.409	12	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	117.9580	0.273	2	118.8053	0.409	12	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	118.5070	0.214	2	118.8053	0.409	12	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	118.7700	0.840	2	118.8053	0.409	12	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	119.3622	0.517	4	118.8053	0.409	12	118.7428	0.373	14	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.4980	0.000	1	119.4980	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.1640	0.181	2	119.1640	0.033	2	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	114.1630	0.000	1	114.1630	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	119.3650	0.382	2	119.3650	0.146	2	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.6430	0.392	2	118.6430	0.153	2	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.5905	0.255	2	118.5666	0.144	14	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	118.9185	0.299	2	118.5666	0.144	14	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.4915	0.395	10	118.5666	0.144	14	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.5996	0.289	20	118.5968	0.080	21	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.5400	0.000	1	118.5968	0.080	21	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.2260	0.000	1	118.2260	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.1570	0.000	1	118.1570	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.1450	0.000	1	117.1450	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	117.4520	0.000	1	118.6613	0.797	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7130	0.000	1	118.6613	0.797	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	119.4840	0.136	2	118.6613	0.797	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.6730	0.000	1	118.6613	0.797	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.1620	0.000	1	118.6613	0.797	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.1670	0.000	1	118.1670	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.7191	0.411	10	118.7191	0.169	10	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,4|C<3>}	119.8500	0.242	2	119.8500	0.058	2	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	120.8240	0.166	6	120.8240	0.027	6	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	119.7865	0.224	2	119.7865	0.050	2	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|I<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.9950	0.000	1	119.2733	0.229	4	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|O<2>,4|C<3>}	119.6735	0.132	2	119.2733	0.229	4	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.7510	0.000	1	119.2733	0.229	4	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|Br<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.4190	0.000	1	119.9090	0.230	5	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.4905	0.002	2	119.9090	0.230	5	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.0725	0.504	2	119.9090	0.230	5	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	116.1730	0.000	1	116.1730	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	121.1870	0.000	1	121.1870	0.000	1	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.4410	0.000	1	116.6347	0.054	3	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.5700	0.000	1	116.6347	0.054	3	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.8930	0.000	1	116.6347	0.054	3	118.8212	1.189	87	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a,6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6,6a]N[6]){1|H<1>,2|C<4>,6|C<3>}	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5,6a,6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[5,6a,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[5,6a,6a]C[5,6a]2){2|C<4>,6|C<3>}	120.0469	0.476	10	120.0469	0.227	10	120.0469	0.227	10	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	119.7530	0.000	1	119.7530	0.000	1	118.5607	0.690	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	118.4360	0.000	1	118.4360	0.000	1	118.5607	0.690	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,7|C<3>}	118.0270	0.249	2	118.0270	0.062	2	118.5607	0.690	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.9170	0.000	1	116.9170	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.6750	0.000	1	119.6750	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.8550	0.000	1	117.6620	0.074	2	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.4690	0.000	1	117.6620	0.074	2	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.5950	0.000	1	119.5950	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<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[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.5300	0.000	1	118.7207	0.136	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<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[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.8160	0.467	2	118.7207	0.136	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.4268	0.453	6	118.4268	0.205	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	120.2223	0.708	4	120.2223	0.501	4	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	118.2133	0.249	20	118.2133	0.062	20	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.1980	0.000	1	117.1980	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	117.9180	0.000	1	117.8393	0.226	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.3290	0.000	1	117.8393	0.226	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.2710	0.000	1	117.8393	0.226	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	117.2630	0.000	1	117.7772	0.307	5	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9057	0.547	4	117.7772	0.307	5	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	116.6965	0.204	2	116.6965	0.042	2	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.7200	0.000	1	118.7200	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.4050	0.536	2	118.3040	0.127	4	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.2030	0.232	2	118.3040	0.127	4	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	118.0330	0.000	1	118.0330	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.8050	0.000	1	118.0555	0.584	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.8370	0.000	1	118.0555	0.584	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.7900	0.000	1	118.0555	0.584	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.6645	0.482	2	118.0555	0.584	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.5720	0.000	1	118.0555	0.584	6	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	119.9285	0.319	2	119.4293	0.798	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	118.4310	0.000	1	119.4293	0.798	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Si)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]Si){3|H<1>,4|C<3>}	116.0220	1.029	14	116.0220	1.058	14	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7070	0.370	7	117.7070	0.137	7	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Ir)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Ir<6>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.6070	0.000	1	119.6070	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.0900	0.000	1	118.0900	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9290	0.270	2	117.9290	0.073	2	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|Br<1>,2|H<1>,4|C<3>}	120.0330	0.000	1	119.4910	0.415	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	119.6610	0.000	1	119.4910	0.415	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|Br<1>,2|H<1>,4|C<3>}	118.7790	0.000	1	119.4910	0.415	3	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.5490	0.000	1	118.5490	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.5180	0.000	1	119.5180	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	119.5040	0.000	1	119.5040	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.0340	0.000	1	119.0340	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.7580	0.000	1	116.7580	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	116.7270	0.000	1	116.7270	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	117.2990	0.000	1	117.2990	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	117.7970	0.000	1	117.7970	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,5|C<3>}	116.8980	0.000	1	116.8980	0.000	1	117.9737	1.431	101	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	116.2770	0.000	1	116.2770	0.000	1	116.7650	0.476	2	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|P<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	117.2530	0.000	1	117.2530	0.000	1	116.7650	0.476	2	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	118.6060	0.000	1	118.6060	0.000	1	119.0940	0.329	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	119.3380	0.549	2	119.3380	0.301	2	119.0940	0.329	3	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.3875	0.250	2	118.3740	0.073	4	118.3740	0.073	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	118.3605	0.397	2	118.3740	0.073	4	118.3740	0.073	4	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.8020	0.000	1	118.8020	0.000	1	119.0004	0.078	7	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.0065	0.046	2	119.0466	0.104	5	119.0004	0.078	7	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0733	0.451	3	119.0466	0.104	5	119.0004	0.078	7	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.9680	0.000	1	118.9680	0.000	1	119.0004	0.078	7	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	119.3515	0.022	2	119.3515	0.000	2	119.3515	0.000	2	118.4542	1.458	267	118.2353	0.956	930	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.9287	0.222	3	124.9287	0.049	3	124.9287	0.049	3	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	118.2770	0.016	2	118.2770	0.000	2	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	117.8800	0.120	2	117.8800	0.014	2	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	118.1885	0.009	2	117.9537	0.104	4	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	117.7190	0.304	2	117.9537	0.104	4	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>}	118.8440	0.078	2	118.8139	0.071	10	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.0180	0.133	2	118.8139	0.071	10	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7358	0.313	6	118.8139	0.071	10	118.4593	0.234	18	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2480	0.000	1	116.2480	0.000	1	117.9650	0.985	7	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0805	0.202	2	118.4780	0.231	5	117.9650	0.985	7	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|Se<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7430	0.423	3	118.4780	0.231	5	117.9650	0.985	7	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1170	0.000	1	117.1170	0.000	1	117.9650	0.985	7	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]F)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]F){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|F<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F){1|H<1>,3|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5860	0.000	1	118.5860	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6270	0.000	1	118.6270	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3920	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1830	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.2420	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8900	0.085	3	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1310	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2680	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.7950	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.4790	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1970	0.000	1	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.4745	0.278	2	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.2285	0.743	2	118.1175	0.389	15	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.4940	0.000	1	117.4940	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.3965	0.770	2	118.3965	0.593	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.1010	0.000	1	118.4580	0.255	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8150	0.000	1	118.4580	0.255	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2680	0.000	1	118.2680	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.6560	0.000	1	117.6560	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.3300	0.000	1	117.3165	1.946	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3030	0.000	1	117.3165	1.946	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4330	0.352	2	119.4330	0.124	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.2110	0.000	1	119.2110	0.000	1	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.5320	0.000	1	118.9698	0.232	6	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.8563	0.199	4	118.9698	0.232	6	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8620	0.000	1	118.9698	0.232	6	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4205	0.046	2	119.4205	0.002	2	118.4182	0.594	37	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	116.7630	0.000	1	116.7630	0.000	1	116.7630	0.000	1	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.5770	0.000	1	116.5770	0.000	1	118.1322	0.663	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,2|C<3>}	118.0320	0.000	1	118.0320	0.000	1	118.1322	0.663	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.5460	0.260	4	118.5460	0.068	4	118.1322	0.663	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9550	0.000	1	117.9550	0.000	1	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	117.3200	0.000	1	117.3200	0.000	1	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	116.4500	0.000	1	116.4500	0.000	1	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.0000	0.000	1	116.7085	0.170	2	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4170	0.000	1	116.7085	0.170	2	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.0570	0.000	1	118.0570	0.000	1	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8530	0.000	1	118.7485	0.022	2	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6440	0.000	1	118.7485	0.022	2	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4602	0.789	6	118.6197	0.458	9	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9387	0.217	3	118.6197	0.458	9	118.1337	0.896	17	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:B[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>}	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	117.6130	0.167	2	117.6553	0.019	3	117.8922	0.075	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	117.7400	0.000	1	117.6553	0.019	3	117.8922	0.075	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	118.1630	0.000	1	118.1290	0.001	3	117.8922	0.075	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.1120	0.013	2	118.1290	0.001	3	117.8922	0.075	6	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	115.0130	0.047	2	114.7797	0.164	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	114.3130	0.000	1	114.7797	0.164	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.1905	0.141	2	117.8024	0.343	5	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	117.9590	0.000	1	117.8024	0.343	5	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	118.3980	0.000	1	117.8024	0.343	5	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2740	0.000	1	117.8024	0.343	5	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	116.2240	0.000	1	116.2240	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.6415	0.426	2	118.6415	0.182	2	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	118.1060	0.000	1	118.1060	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.2340	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8310	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.2740	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.8560	0.117	2	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5250	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9770	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.7630	0.000	1	117.7895	0.622	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0330	0.300	2	117.9830	0.052	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8830	0.000	1	117.9830	0.052	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8590	0.366	2	117.8590	0.134	2	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.4430	0.000	1	118.9017	0.166	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.0380	0.000	1	118.9017	0.166	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.2240	0.000	1	118.9017	0.166	3	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6890	0.000	1	118.6890	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	118.8160	0.000	1	118.8160	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7567	0.155	3	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0470	0.000	1	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2350	0.000	1	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8850	0.000	1	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.6180	0.000	1	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2980	0.269	2	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9050	0.000	1	118.5556	0.139	10	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.8670	0.000	1	117.8670	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0280	0.000	1	118.0280	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.3140	0.000	1	119.3140	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.0602	0.385	26	119.0203	0.149	29	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.6743	0.152	3	119.0203	0.149	29	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	118.5055	0.053	2	118.5055	0.003	2	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.8665	0.354	20	118.8808	0.115	24	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7385	0.124	2	118.8808	0.115	24	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1665	0.179	2	118.8808	0.115	24	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6230	0.000	1	119.6230	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.1670	0.000	1	119.1670	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1660	0.000	1	118.7729	0.041	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7375	0.175	4	118.7729	0.041	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.5980	0.000	1	118.7729	0.041	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7345	0.039	2	118.7729	0.041	8	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7643	0.473	4	118.7643	0.224	4	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	117.7860	0.017	2	117.7860	0.000	2	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.3720	0.761	2	118.3720	0.579	2	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	119.5230	0.000	1	119.5230	0.000	1	118.5430	0.768	117	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7010	0.000	1	117.7010	0.000	1	118.1155	1.266	8	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.0400	0.000	1	119.0400	0.000	1	118.1155	1.266	8	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.0305	1.248	6	118.0305	1.559	6	118.1155	1.266	8	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F){1|Cl<1>,3|C<3>}	118.4220	0.000	1	118.4220	0.000	1	118.4220	0.000	1	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.8070	0.000	1	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.6490	0.000	1	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.0160	0.000	1	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2543	0.084	3	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.9390	0.000	1	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3875	0.397	2	117.4388	0.111	9	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8180	0.000	1	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5670	0.170	3	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5020	0.000	1	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.1150	0.000	1	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7377	0.435	6	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5690	0.000	1	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.6150	0.000	1	117.9104	0.221	14	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	117.7180	0.000	1	117.7180	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.8755	0.005	2	118.8755	0.000	2	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2560	0.000	1	118.2560	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3107	0.604	6	118.1352	0.634	21	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4559	0.894	7	118.1352	0.634	21	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7230	0.737	8	118.1352	0.634	21	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.6640	0.000	1	117.6640	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6093	0.108	4	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7300	0.185	2	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6133	0.143	3	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7172	0.432	5	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7650	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.9080	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5823	0.475	6	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.1060	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.9437	0.074	3	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7920	0.245	2	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8338	0.178	4	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.0445	0.501	4	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6570	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<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>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4690	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.0720	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0600	0.000	1	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0330	0.739	5	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7325	0.746	2	118.3492	0.488	47	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]O[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]O[6a]C)(H){3|C<3>}	119.5860	0.000	1	119.5860	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5990	0.000	1	118.5990	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	118.6425	0.299	2	118.6425	0.089	2	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3955	0.080	2	118.3955	0.006	2	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5770	0.000	1	118.3517	0.360	3	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8060	0.000	1	118.3517	0.360	3	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6720	0.000	1	118.3517	0.360	3	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3090	0.266	2	118.4156	0.077	5	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.2170	0.000	1	118.4156	0.077	5	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6215	0.301	2	118.4156	0.077	5	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8920	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3850	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.2770	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5330	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7520	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0437	0.499	4	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	119.2583	0.573	4	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4010	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5510	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0710	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9600	0.000	1	118.7076	0.345	17	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	118.3570	0.000	1	118.3570	0.000	1	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6900	0.000	1	119.2120	0.178	3	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.9730	0.115	2	119.2120	0.178	3	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.1440	0.161	2	119.1440	0.026	2	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1064	0.262	8	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.2690	0.288	2	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Ni<6>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3905	0.260	2	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8135	0.063	4	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4450	0.088	2	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9150	0.000	1	119.3805	0.129	19	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1840	0.033	2	119.3855	0.056	4	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5870	0.064	2	119.3855	0.056	4	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3225	0.204	2	119.5875	0.170	8	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6758	0.438	6	119.5875	0.170	8	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9354	1.572	11	119.9354	2.470	11	118.6046	0.847	175	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	120.1985	0.342	4	120.1985	0.117	4	120.2106	0.088	8	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	120.2228	0.296	4	120.2228	0.088	4	120.2106	0.088	8	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(F){1|F<1>,3|C<3>}	118.9025	0.105	4	118.9025	0.011	4	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|F<1>,3|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,3|C<3>}	120.0040	0.000	1	120.0040	0.000	1	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|C<4>,1|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(F){1|F<1>,1|N<2>,2|C<3>}	118.7060	0.000	1	118.7060	0.000	1	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|C<4>,1|N<2>,2|C<3>}	118.9110	0.000	1	119.5630	0.297	6	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,2|C<3>}	119.4177	0.226	3	119.5630	0.297	6	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|N<2>,1|N<3>,2|C<3>}	120.1070	0.549	2	119.5630	0.297	6	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,1|N<2>,2|C<3>}	120.0515	0.532	2	120.0515	0.284	2	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(F)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(F){1|O<1>,1|O<2>,2|C<3>}	121.0230	0.000	1	121.0230	0.000	1	119.5034	0.476	16	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7170	0.000	1	117.0542	0.176	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	116.7060	0.000	1	117.0542	0.176	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3970	0.242	2	117.0542	0.176	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C)(H)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C)(H){2|C<3>,2|N<2>}	118.6313	0.413	3	118.6313	0.170	3	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C)(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,1|N<3>,2|C<3>}	118.4525	0.330	2	118.4525	0.109	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H){2|N<2>,4|C<3>}	118.6860	0.291	2	118.6860	0.085	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.6880	0.395	2	116.6260	0.089	3	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.5020	0.000	1	116.6260	0.089	3	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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[3x6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4660	0.011	2	116.4660	0.000	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	114.9340	0.000	1	114.9340	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	115.8363	0.716	3	117.0445	1.285	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	118.0445	0.192	2	117.0445	1.285	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	117.5860	0.581	3	117.0445	1.285	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	117.2813	0.203	6	117.2813	0.041	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(H){1|N<2>,5|C<3>}	119.0280	0.188	2	119.0280	0.035	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	118.4260	0.031	2	119.0200	0.489	14	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	119.1190	0.709	12	119.0200	0.489	14	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.4560	0.000	1	118.4560	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8390	0.000	1	118.8390	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	116.5620	0.000	1	116.5620	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9170	0.754	2	118.0845	0.161	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9650	0.000	1	118.0845	0.161	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2360	0.222	3	118.0845	0.161	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.1210	0.000	1	117.8923	0.208	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8680	0.000	1	117.8923	0.208	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.9230	0.000	1	117.8923	0.208	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3510	0.024	2	117.8923	0.208	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.7400	0.000	1	117.8923	0.208	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9060	0.000	1	119.0105	0.148	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0453	0.464	3	119.0105	0.148	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	117.8465	0.006	2	117.8465	0.000	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.9550	0.000	1	117.9550	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3445	0.162	2	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5093	0.219	4	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6870	0.016	2	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1875	0.531	17	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	120.2660	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3493	0.243	3	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.5350	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8980	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0900	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9700	0.054	2	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7045	0.156	2	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0110	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.7670	0.611	3	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0277	0.569	77	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.3320	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.6990	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	118.0400	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9480	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9320	0.000	1	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9951	0.894	142	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.6150	0.064	2	118.6030	0.825	266	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	120.9855	0.293	2	120.9855	0.086	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	118.5360	0.006	2	119.2398	0.831	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	119.4380	0.000	1	119.2398	0.831	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	120.4490	0.000	1	119.2398	0.831	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(H){5|C<3>}	118.9860	0.000	1	118.9860	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]O[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]O[6a]C)(H){3|C<3>}	119.7255	1.238	2	119.7255	1.533	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	119.4510	0.000	1	119.4510	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0452	0.332	9	119.0452	0.110	9	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,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>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,2|C<3>}	118.8373	0.594	6	118.8373	0.353	6	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.9010	0.136	2	119.2169	0.110	15	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.2578	0.342	12	119.2169	0.110	15	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	119.3580	0.000	1	119.2169	0.110	15	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,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>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	118.8970	0.000	1	118.8970	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<2>,2|C<3>}	119.1917	0.926	4	119.1917	0.857	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.1340	0.000	1	119.1340	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	118.8535	0.313	2	118.8535	0.098	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,2|C<3>}	118.3028	0.242	4	118.3028	0.058	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.2260	0.434	2	119.3310	0.753	51	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3564	0.880	48	119.3310	0.753	51	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	118.3210	0.000	1	119.3310	0.753	51	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	119.4507	0.416	4	119.5309	0.254	28	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	119.5443	0.524	24	119.5309	0.254	28	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<2>,2|C<3>}	119.5430	0.000	1	119.5430	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.7670	0.542	3	119.6542	0.173	5	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.5460	0.000	1	119.6542	0.173	5	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.4240	0.000	1	119.6542	0.173	5	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	119.7940	0.000	1	119.4195	0.185	29	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3156	0.432	16	119.4195	0.185	29	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.8282	0.281	5	119.4195	0.185	29	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3757	0.364	6	119.4195	0.185	29	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.9260	0.000	1	119.4195	0.185	29	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	119.2175	0.469	2	119.2175	0.220	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	119.6175	0.476	2	119.6175	0.226	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H){1|N<2>,1|S<2>,2|C<3>}	118.7995	0.211	2	118.7995	0.045	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	119.7850	0.000	1	119.7152	0.055	15	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7102	0.242	14	119.7152	0.055	15	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.4890	0.000	1	118.5489	0.854	9	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	119.5140	0.000	1	118.5489	0.854	9	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	118.2797	0.948	6	118.5489	0.854	9	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	118.2590	0.000	1	118.5489	0.854	9	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,2|C<3>}	118.8975	0.511	2	118.8975	0.261	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7610	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	117.7110	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1607	0.345	7	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.1320	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5832	0.246	5	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3540	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1150	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5343	0.535	7	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	119.2930	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6791	0.474	452	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	119.7690	0.000	1	119.6566	0.238	478	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H){1|I<1>,1|N<2>,2|C<3>}	117.2938	0.720	4	117.2938	0.519	4	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	119.3460	0.305	2	119.5626	0.447	44	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){2|C<3>,2|N<2>}	119.7142	0.177	4	119.5626	0.447	44	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	119.5895	0.720	36	119.5626	0.447	44	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){2|C<3>,2|N<2>}	118.9910	0.212	2	119.5626	0.447	44	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	119.0620	0.000	1	119.5705	0.517	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	120.0790	0.000	1	119.5705	0.517	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	119.5820	0.247	2	119.5820	0.061	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	119.3510	0.000	1	119.3510	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	120.8730	0.000	1	120.4920	0.290	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	120.1110	0.000	1	120.4920	0.290	2	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	119.4460	0.000	1	119.4460	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	120.0100	0.000	1	119.9160	0.092	7	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>}	120.0680	0.000	1	119.9160	0.092	7	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>}	119.8170	0.000	1	119.9160	0.092	7	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	119.8792	0.409	4	119.9160	0.092	7	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|O<1>,1|O<2>,2|C<3>}	121.1630	0.000	1	121.1630	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	119.5520	0.000	1	119.5216	0.058	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	119.3893	0.001	3	119.5216	0.058	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	119.9120	0.000	1	119.5216	0.058	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>}	119.1530	0.000	1	119.5216	0.058	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>}	119.6940	0.066	2	119.5216	0.058	8	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	116.1060	0.000	1	116.1060	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.7650	0.000	1	118.7650	0.000	1	119.2155	0.804	1086	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I){1|N<2>,5|C<3>}	119.6600	0.000	1	119.6600	0.000	1	119.7980	0.038	2	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I){5|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.7980	0.038	2	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.6510	0.000	1	117.6510	0.000	1	118.1093	0.179	10	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.1348	0.468	5	118.1717	0.183	6	118.1093	0.179	10	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|O<1>,4|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.3560	0.000	1	118.1717	0.183	6	118.1093	0.179	10	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.8690	0.175	2	118.1373	0.231	3	118.1093	0.179	10	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.6740	0.000	1	118.1373	0.231	3	118.1093	0.179	10	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,5|C<3>}	118.9825	0.121	2	118.9743	0.008	3	119.3995	0.728	4	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]2)(H){6|C<3>}	118.9580	0.000	1	118.9743	0.008	3	119.3995	0.728	4	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6750	0.000	1	120.6750	0.000	1	119.3995	0.728	4	119.0440	0.966	1524	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.1430	0.000	1	118.1430	0.000	1	117.8640	0.156	2	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,2|C<3>,3|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	117.5850	0.000	1	117.5850	0.000	1	117.8640	0.156	2	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	118.5540	0.000	1	118.5780	0.001	2	118.2833	0.148	4	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	118.6020	0.000	1	118.5780	0.001	2	118.2833	0.148	4	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	117.7710	0.000	1	117.9885	0.095	2	118.2833	0.148	4	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	118.2060	0.000	1	117.9885	0.095	2	118.2833	0.148	4	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.2440	0.000	1	118.2440	0.000	1	118.5778	0.360	5	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OC){1|C<4>,1|N<2>,2|C<3>}	118.6612	0.659	4	118.6612	0.434	4	118.5778	0.360	5	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	119.6420	0.365	2	119.6420	0.133	2	119.6420	0.133	2	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	119.5540	0.349	2	119.5540	0.122	2	119.5540	0.122	2	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.4390	0.000	1	117.4390	0.000	1	118.5108	2.836	15	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	116.2600	0.000	1	116.4420	0.078	5	118.5108	2.836	15	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	116.4875	0.301	4	116.4420	0.078	5	118.5108	2.836	15	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.6860	0.000	1	118.6860	0.000	1	118.5108	2.836	15	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	119.9159	0.382	8	119.9159	0.146	8	118.5108	2.836	15	118.5935	1.641	30	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.6760	0.528	4	117.6760	0.279	4	117.6760	0.279	4	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCN){1|H<1>,3|C<3>}	117.7130	0.000	1	117.7130	0.000	1	120.4490	2.635	5	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CNO){1|C<4>,3|C<3>}	120.8740	0.000	1	120.8740	0.000	1	120.4490	2.635	5	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	120.9360	0.000	1	120.9360	0.000	1	120.4490	2.635	5	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	120.6630	0.000	1	120.6630	0.000	1	120.4490	2.635	5	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO){1|O<1>,1|O<2>,2|C<3>}	122.0590	0.000	1	122.0590	0.000	1	120.4490	2.635	5	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	119.2830	0.000	1	119.2830	0.000	1	119.2870	0.145	3	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.2890	0.539	2	119.2890	0.290	2	119.2870	0.145	3	119.2342	2.615	12	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[5,6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	124.6060	0.000	1	124.6060	0.000	1	124.6060	0.000	1	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	117.4560	0.000	1	117.4560	0.000	1	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	116.9270	0.190	4	116.9270	0.036	4	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	119.4480	0.000	1	119.4480	0.000	1	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CBrHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CBrHH){1|H<1>,3|C<3>}	117.2220	0.042	4	117.2220	0.002	4	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	118.6860	0.049	2	118.6860	0.002	2	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,3|C<3>}	118.2749	0.689	12	118.2749	0.474	12	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,3|C<3>}	119.1385	0.084	2	119.1385	0.007	2	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,3|C<3>}	118.2765	0.228	2	118.2765	0.052	2	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,1|N<2>,2|C<3>}	119.4390	0.000	1	119.4390	0.000	1	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	119.4420	0.000	1	119.4420	0.000	1	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	119.8390	0.000	1	119.8390	0.000	1	118.1845	0.863	31	118.3853	2.057	33	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	117.4010	0.000	1	117.6370	0.111	2	117.6370	0.111	2	117.6370	0.111	2	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	117.8730	0.000	1	117.6370	0.111	2	117.6370	0.111	2	117.6370	0.111	2	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	114.8530	0.000	1	114.8530	0.000	1	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	115.0920	0.000	1	116.5090	0.802	8	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	116.5160	0.000	1	116.5090	0.802	8	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	116.5296	0.688	5	116.5090	0.802	8	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	117.8160	0.000	1	116.5090	0.802	8	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.6190	0.000	1	117.6325	0.000	2	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	117.6460	0.000	1	117.6325	0.000	2	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.2110	0.000	1	117.8925	0.203	2	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	117.5740	0.000	1	117.8925	0.203	2	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	119.4960	0.000	1	118.9263	0.154	6	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	118.7445	0.110	2	118.9263	0.154	6	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	119.0110	0.000	1	118.9263	0.154	6	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	118.7810	0.563	2	118.9263	0.154	6	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.5315	0.257	2	118.5315	0.066	2	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	118.7560	0.354	3	118.0080	1.114	5	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	116.8860	0.093	2	118.0080	1.114	5	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.1590	0.000	1	118.1590	0.000	1	117.6591	1.603	27	117.6591	1.603	27	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	116.1270	0.000	1	116.1270	0.000	1	117.1355	2.034	2	117.1355	2.034	2	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|N<2>}	118.1440	0.000	1	118.1440	0.000	1	117.1355	2.034	2	117.1355	2.034	2	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	120.9420	0.098	2	120.9420	0.010	2	120.9420	0.010	2	119.3414	3.209	5	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:O-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(O[6a]C[6a,6a])(O)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(O[6a]C[6a,6a])(O){4|C<3>}	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	119.3414	3.209	5	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.3414	3.209	5	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O){1|C<3>,1|N<3>,2|N<2>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	119.3414	3.209	5	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a]){1|N<3>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	121.8980	0.000	1	121.8980	0.000	1	120.4594	0.462	10	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	119.8655	0.756	2	119.8655	0.571	2	120.4594	0.462	10	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	120.3000	0.395	2	120.3000	0.156	2	120.4594	0.462	10	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<3>,2|N<3>,3|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	120.6763	0.381	3	120.6763	0.145	3	120.4594	0.462	10	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<1>,2|N<2>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.1680	0.008	2	120.1680	0.000	2	120.4594	0.462	10	119.9366	3.421	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]){1|Ir<8>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>}	120.6405	0.088	2	120.6405	0.008	2	120.6405	0.008	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(Br){1|N<2>,3|C<3>}	120.4375	0.322	2	120.4375	0.104	2	121.2605	0.435	6	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(Br)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,3|C<3>}	121.6720	0.115	4	121.6720	0.013	4	121.2605	0.435	6	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){1|N<2>,3|C<3>}	120.6985	0.062	2	120.6985	0.004	2	120.6985	0.004	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.3170	0.000	1	120.3170	0.000	1	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.3570	0.000	1	119.3570	0.000	1	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.7790	0.000	1	119.7020	0.012	2	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.6250	0.000	1	119.7020	0.012	2	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.8980	0.000	1	119.9350	0.230	3	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.4320	0.000	1	119.9350	0.230	3	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.4750	0.000	1	119.9350	0.230	3	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(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,6a]C[3x6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.7643	0.361	4	119.7643	0.130	4	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]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,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.8055	0.909	2	120.8055	0.826	2	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(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,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.2510	0.000	1	118.2510	0.000	1	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	119.4600	0.000	1	119.4600	0.000	1	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	120.7760	0.127	2	120.0476	0.169	14	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	119.9262	0.294	12	120.0476	0.169	14	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]Br)(H){1|N<2>,3|C<3>}	119.9822	0.168	4	119.9822	0.028	4	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(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,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	120.8221	0.247	18	120.8221	0.061	18	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	120.6224	0.399	46	120.6224	0.159	46	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(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,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	121.1090	0.098	2	121.1090	0.010	2	120.4394	0.318	99	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-1:	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[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]H)(O)	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[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]H)(O){1|N<3>,3|C<3>}	122.3585	0.021	2	122.3585	0.000	2	122.3585	0.000	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,4|C<3>}	117.6540	0.000	1	117.6540	0.000	1	117.6540	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	117.6795	0.168	2	117.6795	0.028	2	117.6795	0.028	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	118.2300	1.125	5	118.2300	1.266	5	118.1159	0.961	11	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(Br){1|Cl<1>,1|N<2>,2|C<3>}	118.7155	0.251	2	118.7155	0.063	2	118.1159	0.961	11	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(Br){1|F<1>,1|N<2>,2|C<3>}	118.3485	0.120	2	118.3485	0.014	2	118.1159	0.961	11	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	116.9985	1.037	2	116.9985	1.076	2	118.1159	0.961	11	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,5|C<3>}	117.5925	0.528	2	117.5925	0.279	2	118.0943	0.895	3	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.0980	0.000	1	119.0980	0.000	1	118.0943	0.895	3	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){5|C<3>}	117.9765	0.115	2	117.9765	0.013	2	117.9765	0.013	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|Br<1>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	120.3520	0.235	2	120.3520	0.055	2	120.1990	0.060	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	120.0460	0.178	2	120.0460	0.032	2	120.1990	0.060	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|N<3>,3|C<3>}	117.9240	0.000	1	118.1590	0.110	2	118.1590	0.110	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	118.3940	0.000	1	118.1590	0.110	2	118.1590	0.110	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.2290	0.322	3	119.2290	0.104	3	119.2238	0.060	5	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.2160	0.184	2	119.2160	0.034	2	119.2238	0.060	5	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	118.9190	0.846	2	118.9190	0.715	2	119.0627	0.255	6	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<2>,1|S<2>,3|C<3>}	118.9355	0.384	2	118.9355	0.147	2	119.0627	0.255	6	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,3|C<3>,3|C<4>}	119.3335	0.441	2	119.3335	0.194	2	119.0627	0.255	6	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,1|O<1>,4|C<3>}	119.4315	0.128	2	119.4315	0.016	2	119.4315	0.016	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(H){1|N<2>,1|O<2>,3|C<3>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Cl){1|H<1>,1|N<2>,4|C<3>}	119.7695	0.235	2	119.7695	0.055	2	119.7695	0.055	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|S<1>,4|C<3>}	119.5010	0.000	1	119.5010	0.000	1	119.3694	0.190	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	118.8060	0.000	1	118.8060	0.000	1	119.3694	0.190	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.6038	0.449	8	119.6038	0.202	8	119.3694	0.190	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|N<2>,3|C<3>}	119.0585	0.289	4	119.0585	0.084	4	119.3694	0.190	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.2700	0.064	2	119.2700	0.004	2	119.3694	0.190	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.8335	0.357	8	118.8335	0.127	8	118.8335	0.127	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	116.8950	0.000	1	116.8950	0.000	1	119.0787	0.545	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,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>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|S<2>,3|C<3>}	119.4470	0.000	1	119.4470	0.000	1	119.0787	0.545	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	118.9315	0.223	2	118.9315	0.050	2	119.0787	0.545	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<2>,1|S<2>,3|C<3>}	119.4811	0.433	8	119.4811	0.188	8	119.0787	0.545	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<2>,1|S<2>,3|C<3>}	118.8015	0.298	4	118.8015	0.089	4	119.0787	0.545	16	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(Cl){1|H<1>,2|C<4>,3|C<3>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<1>,4|C<3>}	119.3810	0.000	1	119.3810	0.000	1	120.3558	0.996	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|N<3>,3|C<3>}	119.9610	0.000	1	120.6807	0.861	3	120.3558	0.996	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,2|C<3>,2|N<3>}	121.7280	0.000	1	120.6807	0.861	3	120.3558	0.996	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	120.3530	0.000	1	120.6807	0.861	3	120.3558	0.996	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(F){5|C<3>}	119.4600	0.797	9	119.4600	0.635	9	119.4600	0.635	9	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){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,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|S<2>,4|C<3>}	117.6830	0.000	1	117.6830	0.000	1	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){5|C<3>}	118.1425	0.022	2	118.1425	0.000	2	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){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>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.5980	0.000	1	119.5980	0.000	1	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<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<2>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|N<2>,3|C<3>}	119.2652	0.217	5	119.2652	0.047	5	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.8770	0.956	2	119.8770	0.914	2	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(H){2|N<2>,3|C<3>}	119.7625	0.097	4	119.7625	0.009	4	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.1580	0.000	1	119.3613	0.032	3	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	119.4630	0.037	2	119.3613	0.032	3	119.2656	0.476	18	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	120.4850	0.000	1	120.2000	0.085	4	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	120.1050	0.271	3	120.2000	0.085	4	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(Br){1|O<2>,3|C<3>}	118.7030	0.000	1	118.7030	0.000	1	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	118.9340	0.000	1	119.7945	0.364	6	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,3|C<3>}	120.5850	0.000	1	119.7945	0.364	6	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|O<2>,3|C<3>}	119.3310	0.000	1	119.7945	0.364	6	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	120.0515	0.325	2	119.7945	0.364	6	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|Br<1>,3|C<3>}	119.8140	0.000	1	119.7945	0.364	6	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	120.2280	0.000	1	120.2280	0.000	1	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	121.4410	0.000	1	121.4410	0.000	1	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.0664	0.555	14	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|H<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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	118.1410	0.000	1	118.1410	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	118.4810	0.000	1	118.4810	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	119.6605	0.042	2	119.6605	0.002	2	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,3|C<3>}	118.6710	0.000	1	118.6710	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,2|C<3>}	121.0870	0.000	1	121.0870	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	120.0050	0.000	1	120.0050	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(Cl){1|N<2>,3|C<3>}	120.1860	0.000	1	120.1860	0.000	1	119.4865	0.981	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F){1|H<1>,3|C<3>}	118.5280	0.000	1	118.5280	0.000	1	119.1368	0.972	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|Cl<1>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,3|C<3>}	119.1090	0.000	1	119.1090	0.000	1	119.1368	0.972	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){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[6a]N[6a]){1|F<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(F){1|H<1>,3|C<3>}	120.5370	0.000	1	120.5370	0.000	1	119.1368	0.972	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|F<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(F){1|C<2>,3|C<3>}	118.3730	0.000	1	118.3730	0.000	1	119.1368	0.972	4	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.7100	0.000	1	117.7100	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1015	0.176	2	118.1876	0.030	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.1000	0.000	1	118.1876	0.030	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4430	0.000	1	118.1876	0.030	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.1920	0.000	1	118.1876	0.030	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	114.4100	0.000	1	114.4100	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3520	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7710	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.6420	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1390	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.1550	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1647	0.337	3	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8690	0.000	1	118.2691	0.163	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2440	0.000	1	118.4575	0.091	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.6710	0.000	1	118.4575	0.091	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.3875	0.353	2	118.0447	0.415	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.3590	0.000	1	118.0447	0.415	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5920	0.000	1	118.5920	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4140	0.000	1	117.8829	0.127	10	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1390	0.000	1	117.8829	0.127	10	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8671	0.236	7	117.8829	0.127	10	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2060	0.000	1	117.8829	0.127	10	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8990	0.000	1	117.8990	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2620	0.000	1	117.2620	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2690	0.000	1	117.6396	0.132	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0640	0.000	1	117.6396	0.132	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6217	0.325	3	117.6396	0.132	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.9140	0.000	1	118.9140	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	118.0050	0.000	1	118.0050	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	118.0200	0.000	1	118.0200	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8330	0.000	1	117.9976	0.682	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8080	0.000	1	117.9976	0.682	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.8110	0.378	2	117.9976	0.682	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5733	0.193	3	117.9976	0.682	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.1300	0.000	1	118.1300	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7218	0.300	5	116.7218	0.090	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.6090	0.000	1	118.6090	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.0400	0.000	1	117.0400	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.6845	0.218	2	118.2060	0.711	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.2490	0.000	1	118.2060	0.711	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8960	0.000	1	117.8960	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1380	0.351	2	117.7387	0.540	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.9400	0.000	1	117.7387	0.540	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3230	0.000	1	118.3230	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.3320	0.000	1	120.3320	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	118.8070	0.000	1	118.8070	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	118.8405	0.202	2	118.8405	0.041	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1820	0.000	1	119.1895	0.000	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1970	0.000	1	119.1895	0.000	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.6690	0.000	1	117.6690	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|C<4>,3|C<3>}	118.4230	0.000	1	118.4230	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3855	0.387	2	118.4797	0.101	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6680	0.000	1	118.4797	0.101	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]C[6a])(H){1|C<4>,5|C<3>}	118.0040	0.000	1	118.0040	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	117.9895	0.435	2	117.6145	0.171	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	117.4270	0.286	4	117.6145	0.171	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.2340	0.000	1	116.2340	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.7760	0.000	1	116.7760	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	115.4700	0.000	1	115.4700	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.4027	0.425	3	116.4027	0.181	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.1230	0.000	1	117.2746	0.348	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2108	0.676	8	117.2746	0.348	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6060	0.055	2	117.2746	0.348	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1860	0.000	1	117.3510	0.266	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.6130	0.472	3	117.3510	0.266	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	116.7300	0.000	1	117.3510	0.266	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2750	0.000	1	117.2750	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.4220	0.000	1	117.4220	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	116.6595	0.200	2	116.6595	0.040	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3920	0.000	1	117.0338	0.103	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	116.7890	0.000	1	117.0338	0.103	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8480	0.115	3	117.0338	0.103	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.4780	0.000	1	117.0338	0.103	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.5157	0.189	4	116.5157	0.036	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.1610	0.223	2	117.2922	0.942	22	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.6755	0.088	2	117.2922	0.942	22	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.4864	0.900	18	117.2922	0.942	22	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7228	0.259	6	116.7228	0.067	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8865	0.166	2	116.8865	0.028	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3890	0.000	1	117.4366	0.247	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.8835	0.076	2	117.4366	0.247	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	116.6810	0.000	1	117.4366	0.247	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3460	0.000	1	117.4366	0.247	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0843	0.036	3	118.0843	0.001	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	115.3370	0.434	2	116.3702	1.040	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	117.8060	0.000	1	116.3702	1.040	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	117.2480	0.000	1	116.3702	1.040	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.2465	0.117	2	116.3702	1.040	6	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	117.6150	0.000	1	117.6150	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	116.0125	0.090	2	116.0125	0.008	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	118.5996	0.588	7	117.8783	0.564	29	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	117.6741	0.656	21	117.8783	0.564	29	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	117.1160	0.000	1	117.8783	0.564	29	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	116.1720	0.000	1	116.1720	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	119.7450	0.000	1	119.7450	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0350	0.770	8	118.0350	0.592	8	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.6160	0.000	1	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2230	0.000	1	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4100	0.000	1	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4060	0.171	3	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6055	0.885	2	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1927	0.360	3	118.1142	0.224	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	119.0090	0.010	2	118.7862	0.068	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6100	0.000	1	118.7862	0.068	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5170	0.000	1	118.7862	0.068	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9050	0.000	1	118.9050	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	116.5730	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.2840	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5915	0.409	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	117.6900	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.6050	0.397	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1342	0.688	10	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.0030	0.113	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.3270	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.1240	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4820	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8135	0.525	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1500	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7620	0.173	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.0660	0.225	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2975	0.381	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.6845	0.184	4	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7927	0.117	3	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.3190	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	115.9440	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4293	0.177	3	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6920	1.138	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	117.2210	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.1808	0.580	5	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.9228	0.456	5	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7079	0.583	16	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1340	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.3350	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.5400	0.479	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	119.0580	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.2840	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6710	0.119	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3360	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.7500	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9773	0.278	3	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.1920	0.071	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.3255	0.448	2	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4365	0.145	6	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4518	0.185	4	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7920	0.000	1	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7400	0.175	3	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.9763	0.389	3	118.0002	0.618	106	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.7790	0.000	1	117.8990	0.029	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.0190	0.000	1	117.8990	0.029	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	115.6380	0.107	2	115.6380	0.012	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	117.1540	0.000	1	118.2975	2.615	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	119.4410	0.000	1	118.2975	2.615	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.3340	0.000	1	117.6252	0.097	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.8935	0.050	2	117.6252	0.097	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.3800	0.000	1	117.6252	0.097	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1360	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5366	0.264	5	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.1360	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.2230	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0870	0.931	2	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5577	0.805	3	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.2490	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6260	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	119.5080	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7120	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.3710	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5078	0.390	58	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	117.9550	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.4049	0.589	8	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.9750	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.9200	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.7769	0.403	14	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7672	0.244	18	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	116.8640	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9037	0.562	3	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7083	0.212	3	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0960	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8780	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.9840	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.2310	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3530	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.9180	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6902	0.214	6	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9390	0.454	2	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.0690	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.7710	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.6940	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.7750	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.1795	6.373	2	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.0230	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.1110	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6245	0.392	2	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.6585	0.315	2	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5392	0.425	92	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.8300	0.000	1	118.2967	0.512	245	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	117.5091	0.696	11	117.5091	0.484	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.6780	0.000	1	118.6780	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<6>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	116.8510	0.542	2	116.8510	0.293	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1080	0.000	1	118.2450	0.974	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4320	0.759	2	118.2450	0.974	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.0080	0.000	1	118.2450	0.974	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2680	0.000	1	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1435	1.428	2	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.6757	0.347	6	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5760	0.000	1	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1285	0.426	2	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7630	0.000	1	118.7850	0.308	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.1910	0.000	1	117.1910	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.4380	0.000	1	117.8402	0.765	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1075	0.166	2	117.8402	0.765	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.7000	0.327	2	117.8402	0.765	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3415	0.162	2	117.8402	0.765	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9130	0.238	2	117.8402	0.765	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	118.7425	0.186	2	118.7537	0.018	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	118.7760	0.000	1	118.7537	0.018	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3580	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.8280	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9560	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.0422	0.398	10	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7653	0.375	20	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8946	0.531	5	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.8825	0.441	6	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8907	0.237	7	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.1340	0.380	3	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.0050	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3610	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9835	0.087	2	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.0540	0.000	1	118.7909	0.223	59	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.8650	0.000	1	117.8650	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	117.2070	0.000	1	117.2070	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	117.9000	0.000	2	117.9000	0.000	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	118.0650	0.894	2	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.2300	0.849	2	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.1683	0.410	48	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	118.1041	0.129	8	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.3063	0.272	6	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	116.7320	0.243	3	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	118.1050	0.000	1	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	117.1785	0.247	2	117.3055	0.266	72	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.7540	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8265	1.216	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0605	0.144	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9172	0.714	38	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.6826	0.433	36	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.9000	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.6990	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.5180	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9715	0.030	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9290	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1490	0.464	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6066	0.686	5	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	117.9400	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.9095	0.325	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4710	0.181	3	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6625	0.318	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.1803	0.529	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4210	0.882	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	116.7920	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.3210	0.312	5	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2440	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3930	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1343	0.702	3	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.5997	0.386	3	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3770	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8399	0.374	14	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.5655	0.258	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9188	0.423	14	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.8260	0.126	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8189	0.928	37	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.1490	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.5609	0.372	8	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8897	0.294	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	118.7742	0.554	4	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2620	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1576	0.445	5	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7130	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.0390	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.8310	0.314	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9860	0.165	5	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	117.8490	0.000	1	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8212	1.237	26	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	117.7440	0.096	2	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	117.9449	0.354	19	118.2582	0.749	276	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,3|C<3>}	116.6270	0.000	1	116.6270	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	117.5700	0.000	1	117.0904	0.164	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	116.9029	0.355	7	117.0904	0.164	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	117.5380	0.062	2	117.0904	0.164	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	117.0280	0.000	1	117.0904	0.164	11	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	119.8390	0.000	1	119.8390	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7077	0.365	3	117.7077	0.133	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	118.7500	0.000	1	118.7500	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	118.4610	0.000	1	118.4610	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0480	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.5840	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.7480	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7910	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3937	0.828	10	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.6880	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	117.9820	0.000	1	118.2361	0.674	16	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4770	0.000	1	118.5030	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5290	0.000	1	118.5030	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0410	0.000	1	118.7843	0.314	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6560	0.727	2	118.7843	0.314	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0720	0.000	1	119.0710	0.000	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	119.0700	0.000	1	119.0710	0.000	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	117.0130	0.000	1	117.0130	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	118.7600	0.000	1	118.7600	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.8030	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6980	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,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[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0015	0.397	2	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8973	0.140	3	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.4805	0.521	2	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1920	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.6050	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.0450	0.541	4	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	119.0190	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.6550	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8653	0.459	20	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	118.4770	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2868	0.304	5	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5144	0.344	5	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7735	0.190	2	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9737	0.575	3	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,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[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.4490	0.000	1	118.9169	0.515	54	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	120.0140	0.000	1	120.0140	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.8530	0.421	2	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	118.8192	0.709	12	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	120.2210	0.000	1	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8785	0.175	2	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	119.6570	0.000	1	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.7305	0.426	2	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.9567	0.444	4	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.8465	0.202	2	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.9580	0.205	3	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0980	0.000	1	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	117.5790	0.000	1	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.1140	0.249	4	118.5189	0.712	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.4380	0.000	1	117.4380	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1330	0.244	5	119.1330	0.059	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	118.6065	0.449	2	118.6065	0.202	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.1120	0.000	1	118.1120	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6080	0.000	1	118.6080	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5340	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.5290	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5510	0.477	2	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	118.4840	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.0995	0.053	2	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9570	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.7420	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4400	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.9210	0.000	1	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4825	0.353	2	118.3748	0.127	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.4420	0.000	1	117.4420	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Se<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	116.4020	0.000	1	116.4020	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1020	0.000	1	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0440	0.000	1	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7216	0.479	5	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.2063	0.451	3	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5377	0.576	21	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6114	0.538	9	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2763	0.405	3	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.4680	0.434	2	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7640	0.126	2	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7460	0.011	2	118.6521	0.298	49	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	117.6400	0.000	1	117.6400	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.3250	0.000	1	118.4450	0.029	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5650	0.000	1	118.4450	0.029	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8070	0.081	2	118.6950	0.041	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4710	0.000	1	118.6950	0.041	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.8570	0.000	1	118.5675	0.168	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.2780	0.000	1	118.5675	0.168	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	119.7810	0.000	1	119.7810	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	118.5300	0.000	1	118.5125	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|N<3>,3|C<3>}	118.4950	0.000	1	118.5125	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.6147	0.924	3	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	117.7440	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.2320	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	119.2260	1.329	3	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.8510	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5355	0.434	13	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	119.2450	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.1340	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.5402	0.376	9	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	118.5760	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0860	0.000	1	118.6632	0.392	35	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	117.8820	0.000	1	117.8820	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.3698	0.539	23	118.3995	0.297	25	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.2510	0.000	1	118.3995	0.297	25	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	119.2310	0.000	1	118.3995	0.297	25	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.2520	0.000	1	118.9641	0.331	14	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	118.7370	0.000	1	118.9641	0.331	14	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8241	0.500	7	118.9641	0.331	14	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0695	0.468	4	118.9641	0.331	14	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4610	0.000	1	118.9641	0.331	14	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.3690	0.809	2	119.3690	0.654	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.4260	0.000	1	118.9285	0.495	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.4310	0.000	1	118.9285	0.495	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	119.7680	0.361	2	119.7196	0.205	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	120.1770	0.000	1	119.7196	0.205	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.4425	0.566	2	119.7196	0.205	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	118.4260	0.000	1	118.4260	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	118.7960	0.000	1	118.7960	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1370	0.000	1	119.1370	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	115.6970	0.000	1	115.6970	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.7525	0.033	2	119.7525	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.8470	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,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>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.7445	0.330	2	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9900	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5810	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9470	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7310	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.3830	0.768	31	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3600	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6753	0.255	4	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	119.3550	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7253	0.503	4	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,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>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6265	0.166	2	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4200	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4000	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.3970	0.000	1	120.0046	0.637	53	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	119.0640	0.000	1	119.0640	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	120.2270	0.409	2	119.8647	0.477	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	119.1400	0.000	1	119.8647	0.477	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	118.7820	0.000	1	119.0333	0.686	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.9580	0.000	1	119.0333	0.686	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	118.3600	0.000	1	119.0333	0.686	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.2910	0.065	2	119.2747	0.067	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.2585	0.443	2	119.2747	0.067	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,2|C<3>}	119.0650	0.397	2	119.1577	0.105	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|N<2>,1|N<3>,2|C<3>}	119.3430	0.000	1	119.1577	0.105	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.4975	0.433	17	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3460	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	120.1160	0.465	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3320	0.157	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.0885	0.015	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.8390	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7527	0.425	6	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3605	1.621	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>}	119.7090	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6557	0.411	38	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	120.0960	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	118.9465	0.593	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.2470	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	120.1460	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.8570	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4503	0.084	3	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	119.6400	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	119.8605	0.006	2	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.7510	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6520	0.000	1	119.4295	0.412	86	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	119.8942	1.012	4	119.8942	1.024	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])(H){1|F<1>,1|N<2>,4|C<3>}	119.6040	0.000	1	119.6040	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	119.0330	0.000	1	119.0330	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	119.1875	0.193	2	119.1875	0.037	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	119.0100	0.000	1	119.0100	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	118.8230	0.000	1	119.1910	0.271	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	119.5590	0.000	1	119.1910	0.271	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	119.2070	0.000	1	119.6190	0.339	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	120.0310	0.000	1	119.6190	0.339	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	117.5955	0.032	2	117.5955	0.001	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.4320	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.9315	0.104	2	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3190	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6390	0.259	3	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.0120	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.2930	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6077	0.430	30	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	118.9895	0.159	2	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.7950	0.250	2	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3820	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	119.2680	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9460	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7280	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5585	0.437	4	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8423	0.226	4	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4707	0.312	3	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.7963	0.323	3	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.4647	0.332	3	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.2872	0.281	15	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8320	0.233	2	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8060	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9897	0.462	3	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>}	120.3870	0.000	1	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5514	0.297	10	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.8236	0.269	5	119.3715	0.399	101	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	118.8525	0.107	2	118.8525	0.011	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H){1|N<2>,1|S<2>,2|C<3>}	119.5860	0.168	3	119.5860	0.028	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1010	0.000	1	119.6180	0.151	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.0180	0.000	1	119.6180	0.151	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1770	0.000	1	119.6180	0.151	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Mn<8>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4190	0.000	1	119.6180	0.151	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8703	0.163	3	119.6180	0.151	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	120.0230	0.528	2	120.0230	0.278	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	117.9290	0.000	1	117.9290	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1020	0.000	1	118.6190	0.183	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.3775	0.128	2	118.6190	0.183	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,2|C<3>}	119.5760	0.499	4	119.5760	0.249	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7740	0.000	1	119.4520	0.179	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6910	0.000	1	119.4520	0.179	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4405	0.880	2	119.4520	0.179	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1920	0.066	2	119.4520	0.179	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4340	0.000	1	119.4520	0.179	7	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	118.9310	0.000	1	118.9310	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	118.4430	0.000	1	118.8770	0.822	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.9190	0.000	1	118.8770	0.822	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	118.2690	0.000	1	118.8770	0.822	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	118.9323	0.171	3	119.1368	0.187	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	119.7500	0.000	1	119.1368	0.187	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3610	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.7540	0.245	3	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6040	0.129	2	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3320	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4570	0.336	5	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6150	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.4225	1.025	12	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6492	0.311	12	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5490	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	119.9665	0.066	2	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3230	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6106	0.250	16	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8787	0.447	34	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	118.8370	0.000	1	119.6436	0.296	92	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	119.1730	0.000	1	119.1730	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	119.1585	0.107	2	119.1585	0.011	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(H){1|N<2>,1|S<2>,2|C<3>}	119.3900	0.293	2	119.3900	0.086	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	119.2000	0.000	1	119.2000	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.1490	0.000	1	119.2368	0.679	19	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8350	0.151	2	119.2368	0.679	19	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8483	0.390	4	119.2368	0.679	19	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.8573	0.796	12	119.2368	0.679	19	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8940	0.000	1	119.6716	0.147	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6160	0.418	4	119.6716	0.147	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7140	0.000	1	119.7140	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	120.1440	0.240	2	120.1440	0.058	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.0210	0.000	1	119.9660	2.226	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>}	118.9110	0.000	1	119.9660	2.226	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.5685	0.244	2	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	119.6820	0.000	1	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.7910	0.000	1	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.3046	0.151	7	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8335	1.033	4	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	119.2690	0.617	3	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6476	0.205	12	119.4885	0.262	30	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1830	0.721	30	119.1993	0.493	32	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.2190	0.000	1	119.1993	0.493	32	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.6700	0.000	1	119.1993	0.493	32	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	118.7280	0.301	2	118.7280	0.091	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5]){1|Rh<4>,1|H<1>,1|N<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.1700	0.892	2	119.1700	0.796	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.8552	0.123	4	119.8552	0.015	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.9345	0.397	4	119.6587	0.183	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6170	0.429	6	119.6587	0.183	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.9710	0.000	1	119.6587	0.183	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5280	0.000	1	119.6587	0.183	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.6240	0.000	1	119.6587	0.183	13	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.6010	0.000	1	120.0915	0.519	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>}	119.5820	0.000	1	120.0915	0.519	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.6430	0.000	1	120.6430	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.1050	0.000	1	121.1050	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.9420	0.000	1	120.9420	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){2|O<2>,4|C<3>}	120.9770	0.195	2	120.9770	0.038	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){2|C<3>,2|O<2>}	120.2630	0.000	1	120.2630	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,2|C<3>}	119.8110	0.000	1	119.8110	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	120.7526	0.694	5	120.7526	0.481	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	118.2350	0.000	1	118.2350	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>}	118.5830	0.000	1	117.8313	0.436	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.3450	0.000	1	117.8313	0.436	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.5660	0.000	1	117.8313	0.436	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	118.6200	0.000	1	118.5060	0.026	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	118.3920	0.000	1	118.5060	0.026	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.2154	0.825	9	118.2154	0.681	9	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.2104	1.171	5	117.2104	1.371	5	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.6590	0.000	1	118.6590	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.8490	0.555	4	119.8490	0.308	4	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,2|N<2>}	120.6190	0.000	1	120.6190	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	120.4120	0.000	1	120.1910	0.098	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	119.9700	0.000	1	120.1910	0.098	2	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,2|N<2>,3|C<3>}	120.0400	0.000	1	120.0400	0.000	1	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	120.4093	0.406	3	120.4093	0.165	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	119.9630	0.208	3	119.9630	0.043	3	118.5627	1.073	1912	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I){1|H<1>,3|C<3>}	119.9020	0.000	1	119.9020	0.000	1	119.5080	0.310	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I){4|C<3>}	119.1140	0.000	1	119.1140	0.000	1	119.5080	0.310	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){4|C<3>}	114.9360	0.000	1	114.9360	0.000	1	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O){1|C<4>,3|C<3>}	115.6195	0.240	2	115.6195	0.057	2	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,3|N<2>}	118.2890	0.000	1	118.4128	0.117	6	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.4210	0.000	1	118.4128	0.117	6	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.4417	0.435	4	118.4128	0.117	6	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|O<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.5456	0.652	9	118.7368	0.526	13	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	119.1672	0.784	4	118.7368	0.526	13	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,2|N<2>}	117.8090	0.000	1	117.8090	0.000	1	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.1820	0.000	1	118.3393	0.230	3	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	118.4180	0.651	2	118.3393	0.230	3	118.1945	1.425	26	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<6>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:Br-1:	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Br){5|C<3>}	119.3205	0.691	2	119.3205	0.477	2	119.6043	0.480	3	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:Br-1:	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Br)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(Br){1|H<1>,1|O<2>,4|C<3>}	120.1720	0.000	1	120.1720	0.000	1	119.6043	0.480	3	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:Cl-1:	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Cl)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(Cl){5|C<3>}	119.5940	0.153	2	119.5940	0.023	2	119.5940	0.023	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(O)	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]N[6a])(O){1|H<1>,1|N<3>,4|C<3>}	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a,6a]Cl)(Cl){4|C<3>}	118.7180	0.636	2	118.7180	0.405	2	118.7180	0.405	2	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.5640	0.000	1	119.5812	0.001	4	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.6150	0.000	1	119.5812	0.001	4	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.5730	0.000	2	119.5812	0.001	4	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.9250	0.000	1	118.3210	0.314	2	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.7170	0.000	1	118.3210	0.314	2	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	119.9990	0.000	1	119.9990	0.000	1	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.2160	0.000	1	120.2160	0.000	1	119.3978	0.543	8	118.7089	1.254	2213	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC)	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5,6a]O)(OC){1|Se<2>,3|C<3>}	122.2600	0.000	1	122.2600	0.000	1	121.4037	8.382	3	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[5a,6a]O)(OC){1|S<2>,3|C<3>}	123.7740	0.000	1	123.7740	0.000	1	121.4037	8.382	3	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.1770	0.000	1	118.1770	0.000	1	121.4037	8.382	3	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	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[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC)	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[6a](C[6a,6a]C[5a,6a,6a]N[6a])(C[6a]C[6a]O)(OC){1|H<1>,3|C<3>}	125.9930	0.000	1	125.9930	0.000	1	125.9930	0.000	1	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<2>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	116.5080	0.000	1	116.5080	0.000	1	116.7920	0.161	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	117.0760	0.000	1	117.0760	0.000	1	116.7920	0.161	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.3100	0.063	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	118.1330	0.000	1	118.1330	0.000	1	118.3100	0.063	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a]){1|C<2>,1|N<2>,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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	117.7150	0.887	2	117.7150	0.786	2	117.7150	0.786	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,2|C<3>,2|N<2>}	118.1000	0.143	2	118.1000	0.020	2	118.1000	0.020	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	118.9002	0.524	6	118.9002	0.274	6	118.1555	1.981	23	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	116.7189	1.714	7	117.6886	3.624	11	118.1555	1.981	23	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|H<1>,1|N<2>,4|C<3>}	119.3858	0.415	4	117.6886	3.624	11	118.1555	1.981	23	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC){2|N<2>,3|C<3>}	118.2945	0.056	2	118.2668	0.032	6	118.1555	1.981	23	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC){2|N<2>,3|C<3>}	118.2530	0.228	4	118.2668	0.032	6	118.1555	1.981	23	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<2>,1|O<1>,4|C<3>}	118.6975	0.084	2	118.6975	0.007	2	118.6975	0.007	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CC){2|N<2>,3|C<3>}	119.0510	1.430	2	119.0510	2.044	2	119.0510	2.044	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:S-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(SC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(SC){5|C<3>}	117.7818	1.600	4	117.7818	2.559	4	117.7818	2.559	4	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN){2|C<4>,3|C<3>}	116.8003	0.112	4	116.8003	0.013	4	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN){2|C<4>,3|C<3>}	116.8165	0.347	2	116.8165	0.121	2	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	119.0240	0.000	1	119.0240	0.000	1	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	119.2840	0.000	1	118.8230	0.425	2	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,3|C<3>}	118.3620	0.000	1	118.8230	0.425	2	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	120.0120	0.000	1	120.0120	0.000	1	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC){1|H<1>,1|N<2>,2|C<3>}	118.9330	0.578	2	118.9330	0.335	2	117.9485	1.603	12	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	116.9825	0.019	2	116.9825	0.000	2	117.5819	0.792	15	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	116.9370	0.000	1	117.6820	0.931	12	117.5819	0.792	15	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	117.7497	0.982	11	117.6820	0.931	12	117.5819	0.792	15	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH){1|H<1>,3|C<3>}	117.5800	0.000	1	117.5800	0.000	1	117.5819	0.792	15	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.9780	0.000	1	118.5723	0.136	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.3695	0.161	2	118.5723	0.136	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	116.9450	0.000	1	116.9450	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	116.2447	0.341	3	116.2447	0.116	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	117.5980	0.000	1	117.5980	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	115.6350	0.000	1	115.6350	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.5584	0.405	12	118.5962	0.178	24	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.6341	0.452	12	118.5962	0.178	24	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5,5]){1|H<1>,3|C<3>}	116.4500	0.000	1	116.4500	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5]){1|H<1>,3|C<3>}	115.7660	0.000	1	115.7660	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.7358	1.074	6	117.3540	1.019	21	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.2012	0.978	15	117.3540	1.019	21	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.1705	0.865	2	117.1705	0.748	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.5630	0.601	2	117.5630	0.361	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.5900	0.154	2	118.7338	0.044	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.9620	0.000	1	118.7338	0.044	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.9350	0.000	1	118.7338	0.044	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.5920	0.000	1	118.7338	0.044	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	117.6326	1.018	5	117.6326	1.036	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	117.5760	0.000	1	117.5760	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	118.7520	0.000	1	117.5035	0.898	6	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	117.2993	0.927	4	117.5035	0.898	6	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	117.0720	0.000	1	117.5035	0.898	6	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OC){1|H<1>,3|C<3>}	118.2085	0.736	2	118.2085	0.542	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	117.2510	0.000	1	117.2510	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.0030	0.000	1	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.9970	0.000	1	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	118.4715	0.094	2	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	119.2230	0.000	1	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.9950	0.000	1	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	119.0056	0.467	59	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	117.7810	0.000	1	118.9435	0.254	66	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,3|C<3>}	118.4443	0.267	3	118.4443	0.071	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	119.1439	0.599	8	119.1439	0.359	8	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	116.5740	0.962	2	117.3757	0.477	18	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.3475	0.062	2	117.3757	0.477	18	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.0668	0.783	5	117.3757	0.477	18	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.8738	0.228	5	117.3757	0.477	18	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	117.5540	0.679	4	117.3757	0.477	18	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OP){1|H<1>,3|C<3>}	119.1193	0.270	3	119.1193	0.073	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	119.5210	0.313	5	119.5210	0.098	5	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi){1|H<1>,3|C<3>}	118.0565	1.056	2	118.0565	1.115	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4]){1|H<1>,3|C<3>}	115.7720	0.000	1	115.7720	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5]){1|H<1>,3|C<3>}	113.2240	0.000	1	113.2240	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6]){1|H<1>,3|C<3>}	115.1628	2.535	6	115.1628	6.424	6	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	116.1633	0.119	3	116.4725	0.392	4	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	117.4000	0.000	1	116.4725	0.392	4	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|H<1>,3|C<3>}	117.2460	0.000	1	117.2460	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	119.2220	1.249	2	119.2220	1.559	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	119.8755	0.067	2	119.8755	0.005	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	118.1060	1.158	2	118.1060	1.342	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	120.1707	0.426	4	120.1707	0.182	4	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|Cl<1>,3|C<3>}	116.0150	0.553	3	116.0150	0.306	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	119.4675	0.040	2	119.5710	0.033	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|F<1>,3|C<3>}	119.7780	0.000	1	119.5710	0.033	3	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	119.5210	0.000	1	119.5210	0.000	1	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	120.0695	0.011	2	120.0695	0.000	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,2|C<3>}	119.5345	0.350	2	119.5345	0.123	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	119.7035	0.752	2	119.7035	0.565	2	118.2391	1.758	221	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SC){1|H<1>,3|C<3>}	118.5840	0.701	2	118.5840	0.492	2	118.5840	0.492	2	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]H)(OS){1|H<1>,3|C<3>}	120.1107	0.176	4	120.1107	0.031	4	120.1107	0.031	4	118.2671	2.080	300	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H){1|C<4>,6|C<3>}	119.6002	0.367	6	119.6002	0.135	6	119.6002	0.135	6	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	119.8363	0.546	6	119.8363	0.298	6	119.8363	0.298	6	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.6985	0.112	2	119.6985	0.013	2	119.6985	0.013	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[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[6a]-3:N-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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	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[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[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[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<2>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,2|N<2>,4|C<3>}	117.5488	0.370	4	117.5488	0.137	4	117.5488	0.137	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO){1|N<2>,1|O<1>,4|C<3>}	118.9725	0.097	2	118.9725	0.009	2	118.9725	0.009	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CBr2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CBr2){2|N<2>,3|C<3>}	119.7227	0.704	4	119.7227	0.495	4	119.7227	0.495	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.1715	0.853	2	120.1715	0.728	2	120.1715	0.728	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	118.5465	0.221	4	118.5465	0.049	4	118.5465	0.049	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.4670	0.000	1	119.4670	0.000	1	119.4670	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	120.3180	0.030	2	120.3180	0.001	2	120.3180	0.001	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]2){1|H<1>,3|C<3>}	118.6040	0.000	1	118.6040	0.000	1	118.2625	0.233	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:B-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(BC[6a]O){1|H<1>,3|C<3>}	117.9210	0.000	1	117.9210	0.000	1	118.2625	0.233	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	118.4195	0.022	2	118.4195	0.000	2	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(COO){1|H<1>,3|C<3>}	117.6895	0.564	4	117.6895	0.318	4	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCC){1|H<1>,3|C<3>}	118.6770	0.245	2	118.6770	0.060	2	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH){1|H<1>,3|C<3>}	118.6100	0.000	1	118.6100	0.000	1	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCS){1|H<1>,3|C<3>}	120.1890	0.000	1	120.1890	0.000	1	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	118.7260	0.137	2	118.7260	0.019	2	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	119.0565	0.470	2	119.0565	0.221	2	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(COO){1|C<4>,3|C<3>}	119.4490	0.000	1	119.4490	0.000	1	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHO){1|H<1>,3|C<3>}	117.5390	0.000	1	117.5390	0.000	1	118.5189	0.624	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6]){2|N<2>,2|N<3>,5|C<3>}	120.6160	0.199	2	120.6160	0.040	2	120.6160	0.040	2	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	116.4600	0.000	1	116.4600	0.000	1	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	117.1090	0.000	1	117.1090	0.000	1	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	117.7190	0.000	1	117.7190	0.000	1	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|H<1>,5|C<3>}	117.2980	0.000	1	117.2980	0.000	1	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,5|C<3>}	118.2790	0.000	1	119.2690	1.960	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.2590	0.000	1	119.2690	1.960	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	118.9015	0.134	2	118.4553	0.278	4	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|I<1>,1|N<2>,1|O<2>,5|C<3>}	118.0090	0.143	2	118.4553	0.278	4	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	117.9520	0.701	4	117.9520	0.491	4	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4020	0.528	2	119.4020	0.278	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	119.3870	0.000	1	119.3870	0.000	1	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Cl<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.3032	0.246	5	119.1685	0.734	18	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.0970	0.651	4	119.1685	0.734	18	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Pd<4>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.1137	0.887	3	119.1685	0.734	18	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.1313	1.362	6	119.1685	0.734	18	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.3480	0.000	1	119.1120	0.111	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	118.8760	0.000	1	119.1120	0.111	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	118.4760	0.000	1	118.9394	0.487	7	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.0167	0.731	6	118.9394	0.487	7	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	119.0000	0.272	2	119.0000	0.074	2	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	118.6350	0.910	3	118.6350	0.828	3	118.7894	0.861	49	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|C<4>,3|C<3>}	116.8520	0.000	1	116.8520	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	116.6433	0.129	3	116.6433	0.017	3	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.3450	0.000	1	117.3450	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.4495	0.155	2	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.7420	0.000	1	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.7223	0.584	4	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	115.0240	0.000	1	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.3227	0.495	4	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	115.9930	0.000	1	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.4110	0.000	1	117.0892	0.801	14	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	117.1300	0.471	2	117.0203	0.147	3	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	116.8010	0.000	1	117.0203	0.147	3	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|O<2>,3|C<3>}	117.6830	0.194	2	117.6830	0.038	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	119.3170	0.000	1	119.8958	0.738	6	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	120.5820	0.463	3	119.8958	0.738	6	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	119.1560	0.646	2	119.8958	0.738	6	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NTiC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NTiC){1|H<1>,3|C<3>}	119.0300	0.165	2	119.0300	0.027	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|H<1>,5|C<3>}	120.2040	0.000	1	119.6105	0.704	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|Br<1>,5|C<3>}	119.0170	0.000	1	119.6105	0.704	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	116.4310	0.000	1	116.4310	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS){1|H<1>,3|C<3>}	116.8555	0.001	2	116.8555	0.000	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS){1|H<1>,3|C<3>}	117.7480	0.000	1	117.7480	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	118.5280	0.345	2	118.5280	0.119	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.0473	0.290	6	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.5432	0.578	6	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.6200	0.000	1	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|F<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	118.0005	0.148	2	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.4450	0.000	1	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.9870	0.523	3	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.6545	0.298	6	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.8815	0.214	2	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.3445	0.514	2	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.0438	0.431	4	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	117.7062	0.545	162	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.6233	0.855	3	117.5727	0.404	198	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H){1|H<1>,3|C<3>}	118.1150	0.662	2	118.1150	0.438	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C){1|H<1>,3|C<3>}	118.3760	0.000	1	118.3760	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	118.9257	0.489	4	118.9257	0.239	4	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	117.4070	0.168	4	117.4070	0.028	4	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,3|C<3>}	117.8170	0.000	1	117.8170	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	118.0151	1.042	9	118.0151	1.086	9	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	117.0435	0.613	2	117.0435	0.376	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	117.7230	0.000	1	117.3157	0.673	8	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	117.5022	0.634	6	117.3157	0.673	8	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	115.7900	0.000	1	117.3157	0.673	8	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H){1|H<1>,3|C<3>}	118.1040	0.000	1	118.1040	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NNiC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NNiC){1|H<1>,3|C<3>}	118.4200	0.000	1	118.4200	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	119.9880	0.000	1	119.4320	0.618	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	118.8760	0.000	1	119.4320	0.618	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS){1|H<1>,3|C<3>}	117.0930	0.000	1	117.0930	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	115.9280	0.000	1	115.9280	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S){1|H<1>,3|C<3>}	117.0160	0.000	1	117.0160	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH){1|H<1>,3|C<3>}	116.3710	0.000	1	116.3710	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH){1|H<1>,3|C<3>}	117.6970	0.000	1	117.6970	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	120.6735	0.353	2	120.6735	0.125	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	116.9700	0.000	1	116.9700	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	118.6580	0.000	1	118.6580	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	121.7290	0.000	1	121.7290	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	119.4020	0.000	1	119.4020	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	121.1160	0.638	2	121.1160	0.407	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH){1|H<1>,1|N<2>,2|C<3>}	118.6050	0.058	2	118.6050	0.003	2	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|Cl<1>,3|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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH){1|H<1>,1|N<2>,2|C<3>}	118.1780	0.000	1	118.1780	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|N<2>,3|C<3>}	117.7380	0.000	1	117.7380	0.000	1	117.7112	0.883	290	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,1|I<1>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.3965	0.268	2	118.7181	0.065	8	118.7181	0.065	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.8253	0.148	6	118.7181	0.065	8	118.7181	0.065	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	119.6040	0.000	1	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	119.8790	0.000	1	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	118.6050	0.000	1	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	118.7810	0.000	1	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	119.0770	0.344	2	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	119.2160	0.000	1	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,6|C<3>}	119.2150	0.037	2	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	119.1920	0.126	5	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	119.1730	0.041	2	119.1859	0.091	16	119.1859	0.091	16	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	117.5240	0.000	1	117.5240	0.000	1	117.9968	0.227	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	117.6530	0.000	1	118.1543	0.191	3	117.9968	0.227	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	118.4050	0.071	2	118.1543	0.191	3	117.9968	0.227	4	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SCN){1|H<1>,3|C<3>}	118.2340	0.000	1	118.2340	0.000	1	118.2340	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	118.3545	0.664	2	118.3545	0.441	2	118.9566	0.616	5	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	119.3575	0.902	2	119.3580	0.406	3	118.9566	0.616	5	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	119.3590	0.000	1	119.3580	0.406	3	118.9566	0.616	5	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|S<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	119.5990	0.737	2	119.5990	0.543	2	118.5927	0.798	6	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|In<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]In[6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.0895	0.370	4	118.0895	0.137	4	118.5927	0.798	6	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	116.3970	0.000	1	116.3970	0.000	1	116.3970	0.000	1	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	118.7155	0.037	2	118.7155	0.001	2	118.4614	0.079	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,5|C<3>}	118.2275	0.076	2	118.4408	0.107	4	118.4614	0.079	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	118.6540	0.365	2	118.4408	0.107	4	118.4614	0.079	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5a]N[5a]O[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,4|C<3>}	118.2485	0.093	2	118.2485	0.009	2	118.4614	0.079	8	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	118.8070	0.000	1	118.8757	0.169	7	118.8757	0.169	7	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	118.6595	0.463	2	118.8757	0.169	7	118.8757	0.169	7	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	119.0240	0.563	3	118.8757	0.169	7	118.8757	0.169	7	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|Si<4>,1|H<1>,1|O<1>,5|C<3>}	118.9320	0.000	1	118.8757	0.169	7	118.8757	0.169	7	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.2520	0.731	2	118.2520	0.535	2	118.4457	0.380	3	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	118.8330	0.000	1	118.8330	0.000	1	118.4457	0.380	3	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	119.3235	0.481	10	119.3235	0.232	10	119.3001	0.214	11	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(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[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	119.0660	0.000	1	119.0660	0.000	1	119.3001	0.214	11	118.1661	1.230	465	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(CF3)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]H)(CF3){4|C<3>}	120.0360	0.091	2	120.0360	0.008	2	120.0360	0.008	2	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3){5|C<3>}	117.7837	1.072	8	117.7837	1.150	8	117.7103	0.669	14	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN){5|C<3>}	117.8085	0.364	2	117.8085	0.133	2	117.7103	0.669	14	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO){5|C<3>}	117.7140	0.305	2	117.7140	0.093	2	117.7103	0.669	14	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3){5|C<3>}	117.3145	0.216	2	117.3145	0.047	2	117.7103	0.669	14	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	117.1770	0.000	1	117.1770	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	119.2660	0.000	1	119.1405	0.032	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	119.0150	0.000	1	119.1405	0.032	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){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[6a,6a]N){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	117.5370	0.000	1	117.5370	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	117.7400	0.000	1	117.7400	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	117.0920	0.000	1	117.0920	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	118.5420	0.000	1	118.5420	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,3|C<3>}	117.5230	0.000	1	117.5230	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	117.1770	0.000	1	117.3813	0.065	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){4|C<3>}	117.4835	0.261	2	117.3813	0.065	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	117.1280	0.000	1	117.1280	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,3|C<3>}	116.3455	0.663	2	116.3455	0.439	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.7204	0.199	5	118.4516	0.168	24	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.2520	0.000	1	118.4516	0.168	24	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.9770	0.310	5	118.4516	0.168	24	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.1615	0.193	13	118.4516	0.168	24	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	117.8510	0.187	3	117.8510	0.035	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	118.3612	0.749	4	118.3612	0.560	4	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	118.0300	0.000	1	117.2823	0.510	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	116.9085	0.425	2	117.2823	0.510	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	118.1307	0.316	6	118.3490	0.120	13	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	118.5361	0.262	7	118.3490	0.120	13	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,3|C<3>}	119.3280	0.000	1	119.3280	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,3|C<3>}	118.6940	0.000	1	118.6940	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	117.0550	0.000	1	117.9903	0.563	6	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	117.5840	0.713	2	117.9903	0.563	6	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|I<1>,3|C<3>}	118.3350	0.000	1	117.9903	0.563	6	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	118.6920	0.000	2	117.9903	0.563	6	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.6725	0.015	2	118.6870	0.204	8	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	118.3945	0.303	4	118.6870	0.204	8	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CF3){1|H<1>,3|C<3>}	119.2865	0.306	2	118.6870	0.204	8	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.8440	0.000	1	119.8440	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,3|C<3>}	113.5797	4.034	3	113.5797	16.276	3	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHS){1|H<1>,3|C<3>}	118.1950	0.000	1	118.1950	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,3|C<3>}	117.7860	0.733	7	117.7860	0.537	7	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	117.9975	0.115	2	117.9975	0.013	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<4>,2|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	116.9310	1.748	2	116.9310	3.055	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,3|C<3>}	118.8580	0.368	2	118.8580	0.135	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(CCHH){5|C<3>}	117.6900	0.000	1	117.6900	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	118.5940	0.334	2	118.5940	0.111	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<2>,3|C<3>}	118.6760	0.000	1	118.6760	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	119.3480	0.000	1	119.3480	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	118.7110	0.911	2	118.7110	0.829	2	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	119.3320	0.000	1	119.3320	0.000	1	118.0781	1.482	103	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){2|C<3>,2|N<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|N<3>,3|C<3>,3|H<1>}	118.4850	0.000	1	118.4850	0.000	1	118.1055	0.288	2	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,5|H<1>}	117.7260	0.000	1	117.7260	0.000	1	118.1055	0.288	2	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Ga-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaCl3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaCl3){1|H<1>,3|C<3>}	117.6340	0.000	1	117.6340	0.000	1	117.1197	0.218	3	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Ga-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(GaN[6]Cl2){1|H<1>,3|C<3>}	116.8625	0.196	2	116.8625	0.038	2	117.1197	0.218	3	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH3){1|H<1>,3|C<3>}	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,3|C<3>}	119.2320	0.000	1	119.2320	0.000	1	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SNOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SNOO){1|H<1>,3|C<3>}	119.3938	0.280	6	119.3938	0.078	6	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[5]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[5]OO){1|H<1>,3|C<3>}	119.6045	0.018	2	119.6045	0.000	2	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[5a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[5a]OO){1|H<1>,3|C<3>}	119.6530	0.000	1	119.6530	0.000	1	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[6]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SN[6]OO){1|H<1>,3|C<3>}	119.6390	0.559	10	119.6390	0.313	10	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SOOS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SOOS){1|H<1>,3|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.5456	0.178	21	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Si-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]B)(SiC[6a]CC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){1|Si<4>,1|B<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]B)(SiC[6a]CC){4|C<3>}	115.1200	0.000	1	115.1200	0.000	1	117.4767	4.292	3	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Si-4:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SiC[6a]IrC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(SiC[6a]IrC){1|H<1>,3|C<3>}	118.6550	0.503	2	118.6550	0.253	2	117.4767	4.292	3	118.2570	1.532	150	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	118.5580	0.000	1	118.5580	0.000	1	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ir)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ir<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ir)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	117.6970	0.000	1	118.6173	1.794	3	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ir)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ir<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ir)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0775	1.522	2	118.6173	1.794	3	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	118.2560	0.000	1	119.0097	0.514	3	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.3865	0.419	2	119.0097	0.514	3	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ru)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<10>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Ru)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0730	0.069	2	119.0730	0.005	2	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]2Rh)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	119.2865	0.241	2	119.2865	0.058	2	118.9235	0.542	11	118.9235	0.542	11	118.7163	1.330	4785	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|H<1>,1|O<2>,3|C<3>}	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|H<1>,1|O<2>,3|C<3>}	117.2960	0.000	1	117.2960	0.000	1	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.0505	1.124	4	116.0505	1.264	4	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2){2|F<1>,3|C<3>}	115.8530	0.170	2	115.9108	0.730	12	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2){2|F<1>,3|C<3>}	115.6968	0.967	6	115.9108	0.730	12	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2605	0.924	4	115.9108	0.730	12	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.2510	0.000	1	115.9603	0.376	4	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.6800	0.000	1	115.9603	0.376	4	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.9550	0.327	2	115.9603	0.376	4	116.0128	0.737	21	116.0768	0.792	22	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:2:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	115.6650	0.864	3	115.6650	0.746	3	115.6650	0.746	3	115.6650	0.746	3	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a]){1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.7740	0.000	1	118.7740	0.000	1	117.3425	0.982	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0440	0.000	1	118.0440	0.000	1	117.3425	0.982	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.8080	0.000	1	116.5077	0.069	3	117.3425	0.982	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.3575	0.052	2	116.5077	0.069	3	117.3425	0.982	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.7140	0.000	1	117.7140	0.000	1	117.3425	0.982	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	117.2840	0.000	1	117.2840	0.000	1	117.2840	0.000	1	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|O<2>,3|C<3>}	115.8890	0.000	1	117.0525	1.190	4	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4403	0.940	3	117.0525	1.190	4	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.2480	0.000	1	118.2480	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2630	0.000	1	116.2630	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.9980	0.000	1	116.9980	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Br<1>,4|C<3>}	116.6290	1.418	2	116.6290	2.012	2	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|S<4>,3|C<3>}	114.4950	0.000	1	114.4950	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.9880	0.000	1	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.8430	0.000	1	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|F<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.1690	0.000	1	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.9092	0.510	5	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.3863	0.428	3	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0800	0.000	1	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|C<4>,3|C<3>}	117.3995	0.309	4	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.1507	0.580	11	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|O<2>,3|C<3>}	118.4035	0.094	2	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0610	0.275	3	117.9697	0.400	32	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,2|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.6010	0.000	1	115.6010	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	117.3580	0.000	1	117.3580	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.6060	0.000	1	117.6060	0.000	1	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	118.6767	0.580	3	117.3924	1.366	9	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|C<3>,2|H<1>}	117.1737	0.451	4	117.3924	1.366	9	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|C<3>,2|H<1>}	115.9035	0.264	2	117.3924	1.366	9	117.5852	1.000	54	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.4160	0.000	1	116.4160	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(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[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){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[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.0300	0.000	1	117.0300	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a]){1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.2970	0.000	1	115.2970	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.7465	0.293	2	116.7465	0.086	2	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	114.7450	0.000	1	114.7450	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.6120	0.000	1	116.6120	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	117.0650	0.000	1	117.0650	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<4>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	114.8910	0.000	1	114.8910	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|F<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]F)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.8980	0.000	1	115.8980	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.5770	0.000	1	115.5770	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Br<1>,4|C<3>}	117.3255	0.156	2	117.3255	0.024	2	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|C<4>,3|C<3>}	115.5892	0.316	4	115.9473	0.457	14	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2305	0.769	8	115.9473	0.457	14	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|O<2>,3|C<3>}	115.5305	0.039	2	115.9473	0.457	14	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	114.8390	0.000	1	115.2919	0.614	7	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.3673	0.830	6	115.2919	0.614	7	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	115.4210	0.000	1	115.4210	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.9800	0.000	1	115.7893	0.873	4	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.3923	0.604	3	115.7893	0.873	4	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,2|I<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.6720	0.000	1	116.6720	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|S<4>,3|C<3>}	115.9180	0.000	1	115.9180	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|O<2>,3|C<3>}	116.8840	0.000	1	115.6669	1.289	8	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.4930	1.105	7	115.6669	1.289	8	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.5577	0.245	3	115.5577	0.060	3	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.1790	0.000	1	115.1790	0.000	1	115.8554	0.729	53	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|C<3>,2|H<1>}	116.1417	0.904	6	116.1417	0.818	6	116.1417	0.818	6	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.7665	0.069	2	121.7760	0.003	3	122.1675	0.615	4	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O[6a]){1|C<4>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.7950	0.000	1	121.7760	0.003	3	122.1675	0.615	4	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a]){5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.3420	0.000	1	123.3420	0.000	1	122.1675	0.615	4	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.9580	0.000	1	120.9580	0.000	1	122.0621	1.217	8	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){2|Cl<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)2{2|H<1>,3|C<3>}	120.2880	0.000	1	120.2880	0.000	1	122.0621	1.217	8	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	122.2025	1.480	2	122.2025	2.190	2	122.0621	1.217	8	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.7115	0.282	4	122.7115	0.079	4	122.0621	1.217	8	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	121.2333	1.274	3	121.2333	1.624	3	121.6457	1.763	4	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	O[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.8830	0.000	1	122.8830	0.000	1	121.6457	1.763	4	117.3502	4.339	137	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	117.8120	0.585	2	117.8120	0.343	2	117.8120	0.343	2	117.8120	0.343	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.7820	0.000	1	114.7820	0.000	1	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	113.2100	0.000	1	113.2100	0.000	1	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	115.6068	1.118	5	116.0350	2.099	6	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	118.1760	0.000	1	116.0350	2.099	6	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.0430	0.000	1	115.0430	0.000	1	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.9680	0.000	1	114.9680	0.000	1	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8150	0.000	1	115.8150	0.000	1	115.4571	1.855	11	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.4240	0.000	1	115.4240	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	114.1130	0.000	1	114.1130	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.6220	0.000	1	113.6220	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.5720	0.000	1	116.5720	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.8975	0.766	2	113.8975	0.586	2	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.5760	0.000	1	116.5760	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.1250	0.662	2	117.1250	0.438	2	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.6370	0.000	1	115.6370	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.0650	0.000	1	117.0650	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	115.3660	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.0650	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.5750	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	116.3610	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.3820	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	115.7620	0.000	1	116.0852	0.205	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3490	0.000	1	115.9762	0.263	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.0520	0.000	1	115.9762	0.263	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.1050	0.000	1	115.9762	0.263	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4385	0.571	2	115.9762	0.263	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4740	0.000	1	115.9762	0.263	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8770	0.000	1	115.8770	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.1850	0.000	1	116.0470	0.047	3	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	115.7980	0.000	1	116.0470	0.047	3	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.1580	0.000	1	116.0470	0.047	3	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.9585	0.541	2	117.5643	0.872	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.8672	0.995	4	117.5643	0.872	6	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	115.9390	0.000	1	115.9390	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2040	0.000	1	116.5955	0.307	2	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.9870	0.000	1	116.5955	0.307	2	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.1250	0.000	1	116.1250	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.3200	0.000	1	114.3200	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.6850	0.000	1	116.6850	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.7880	0.000	1	113.8997	1.319	3	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.9555	1.619	2	113.8997	1.319	3	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.5540	0.000	1	112.5540	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.3110	0.000	1	113.5120	0.168	4	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.0560	0.000	1	113.5120	0.168	4	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.8405	0.200	2	113.5120	0.168	4	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	115.9800	0.000	1	115.9800	0.000	1	115.6951	2.091	48	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.7540	0.000	1	114.3530	0.718	2	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.9520	0.000	1	114.3530	0.718	2	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7215	0.687	2	116.7215	0.471	2	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	115.6480	0.000	1	115.6480	0.000	1	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4720	0.000	1	116.5157	0.445	7	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7733	0.660	4	116.5157	0.445	7	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5225	0.087	2	116.5157	0.445	7	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<5>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.1290	0.000	1	117.1290	0.000	1	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.4910	0.000	1	115.4910	0.000	1	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	117.3205	0.528	2	116.8710	0.833	4	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.4215	1.189	2	116.8710	0.833	4	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9260	0.000	1	116.6705	0.975	6	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7020	0.000	1	116.6705	0.975	6	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Pd<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8315	0.161	2	116.6705	0.975	6	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.8660	0.168	2	116.6705	0.975	6	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.8298	0.875	8	116.8298	0.765	8	116.5054	0.956	32	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	114.9190	0.000	1	114.9190	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.9907	0.365	3	116.9907	0.133	3	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.3310	0.000	1	115.2948	0.468	15	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.8800	0.841	2	115.2948	0.468	15	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.2752	0.433	5	115.2948	0.468	15	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.2595	0.141	2	115.2948	0.468	15	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.4872	1.065	5	115.2948	0.468	15	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	117.4050	0.000	1	117.4050	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,5|C<3>}	116.6395	0.186	2	116.6395	0.035	2	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.7280	0.000	1	115.7280	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	117.0020	0.000	1	117.0020	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	116.3230	0.000	1	116.3137	0.401	16	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5740	0.000	1	116.3137	0.401	16	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2944	0.676	14	116.3137	0.401	16	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3220	0.000	1	116.3220	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3410	1.139	8	116.3410	1.296	8	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.5040	0.000	1	116.5040	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	118.2640	0.000	1	118.2640	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.9010	0.000	1	117.3745	0.554	2	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.8480	0.000	1	117.3745	0.554	2	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	118.6956	0.582	5	118.5032	0.493	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]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[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	117.5410	0.000	1	118.5032	0.493	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	117.6830	0.000	1	117.6830	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	115.8280	0.000	1	115.8280	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.2025	0.727	11	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.4300	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9397	0.749	6	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.9340	0.581	4	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5810	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.6483	0.386	3	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	116.3290	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|F<1>,3|C<3>}	117.0635	0.028	2	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.2963	0.623	24	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4340	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.6660	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.5720	0.000	1	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.8473	0.742	3	116.9888	0.640	59	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.2680	0.000	1	115.2680	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2760	0.000	1	116.1335	0.989	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5420	0.000	1	116.1335	0.989	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.5850	0.000	1	116.1335	0.989	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9200	0.000	1	116.1335	0.989	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2390	2.094	2	116.1335	0.989	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	115.2270	0.000	1	115.2270	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.2125	0.801	2	116.2125	0.642	2	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	115.7933	0.476	4	114.5599	1.370	14	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	113.4751	0.166	7	114.5599	1.370	14	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	115.5530	0.468	2	114.5599	1.370	14	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	115.2330	0.000	1	114.5599	1.370	14	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|H<1>}	116.6470	0.000	1	116.1753	1.037	7	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.8044	0.922	5	116.1753	1.037	7	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.5580	0.000	1	116.1753	1.037	7	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	117.4910	0.000	1	117.4910	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	117.7790	0.000	1	118.4040	0.081	11	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.6330	0.000	1	118.4040	0.081	11	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.4480	0.210	9	118.4040	0.081	11	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.3460	0.000	1	118.3460	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<3>,2|N<3>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.6500	0.785	3	117.6500	0.616	3	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	116.2860	0.000	1	117.3149	0.317	19	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.2815	0.461	15	117.3149	0.317	19	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	117.5475	0.641	2	117.3149	0.317	19	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.3800	0.000	1	117.3149	0.317	19	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3290	0.000	1	117.3290	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.8103	0.763	3	118.8103	0.582	3	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.5230	0.000	1	114.5230	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.9975	0.015	2	115.2153	0.220	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.3243	0.565	4	115.2153	0.220	6	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){1|Br<1>,6|C<3>}	115.9450	0.000	1	115.9450	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	115.9460	0.000	1	115.9460	0.000	1	116.6414	1.613	199	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	115.6675	0.370	2	115.6675	0.137	2	115.6675	0.137	2	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	115.3700	0.000	1	115.3700	0.000	1	115.3700	0.000	1	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){3|C<3>,3|H<1>}	119.0710	0.000	1	119.0710	0.000	1	119.0710	0.000	1	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|S<4>,2|H<1>,3|C<3>}	119.5165	0.477	2	119.5165	0.228	2	119.5165	0.228	2	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|O<2>,4|C<3>}	116.1600	0.000	1	116.1600	0.000	1	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	116.3550	0.000	1	116.3550	0.000	1	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	117.3245	0.839	2	117.3245	0.704	2	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	116.7580	0.000	1	116.7960	0.071	8	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	116.8014	0.287	7	116.7960	0.071	8	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	122.0550	0.000	1	122.0550	0.000	1	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	120.6140	0.000	1	120.3660	0.123	2	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	120.1180	0.000	1	120.3660	0.123	2	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	116.3470	0.000	1	116.3470	0.000	1	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|H<1>,3|C<3>}	118.0390	0.000	1	118.0390	0.000	1	117.5709	2.948	17	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,5|C<3>}	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	116.5066	1.936	315	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	2:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,3|C<3>}	115.5015	0.302	2	115.5015	0.091	2	115.5015	0.091	2	115.5015	0.091	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2{3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,3|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>}	117.5800	0.598	2	117.5800	0.358	2	117.5800	0.358	2	117.5800	0.358	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a]){1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	115.5547	0.409	3	115.5547	0.167	3	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.9620	0.000	1	117.9620	0.000	1	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.2627	1.554	4	117.3754	1.864	10	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	119.6180	0.000	1	117.3754	1.864	10	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.5080	0.000	1	117.3754	1.864	10	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	116.4300	0.679	3	117.3754	1.864	10	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	118.2870	0.000	1	117.3754	1.864	10	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	115.9080	0.000	1	115.9080	0.000	1	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,2|C<3>,2|N<2>}	118.1040	0.214	2	117.7987	0.362	12	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	117.5365	0.856	2	117.7987	0.362	12	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	117.7880	0.642	8	117.7987	0.362	12	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	117.2045	1.169	2	117.2045	1.366	2	117.3201	1.322	29	117.3201	1.322	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	118.9940	0.000	1	118.9940	0.000	1	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C){1|N<2>,3|C<3>}	115.2050	0.000	1	115.2050	0.000	1	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	117.4400	0.000	1	117.4400	0.000	1	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.3220	0.239	2	117.8682	0.726	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.1530	0.000	1	117.8682	0.726	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	119.4250	0.000	1	117.8682	0.726	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	118.0590	0.000	1	117.8682	0.726	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.9280	0.000	1	117.8682	0.726	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.1700	0.100	2	117.1700	0.010	2	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]2){2|H<1>,2|N<2>,5|C<3>}	117.6485	0.914	6	117.6485	0.835	6	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	117.6875	2.481	2	117.6875	6.157	2	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]Br)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|Br<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	117.5037	1.421	4	117.5037	2.019	4	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	117.7300	1.400	2	117.7300	1.960	2	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|C<3>,1|H<1>,2|N<2>}	117.9070	0.557	2	117.9070	0.310	2	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	118.1912	0.414	6	118.0207	0.177	18	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	118.0580	0.415	4	118.0207	0.177	18	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<3>,2|H<1>,2|N<2>}	117.9835	0.573	4	118.0207	0.177	18	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,2|C<3>,2|N<2>}	117.9415	0.269	2	118.0207	0.177	18	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|N<2>}	117.5885	0.087	2	118.0207	0.177	18	117.7804	0.814	45	117.7804	0.814	45	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,3|C<3>}	118.7805	1.271	2	118.7805	1.615	2	118.7805	1.615	2	118.7805	1.615	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	116.7095	0.300	4	116.7095	0.090	4	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|Cl<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.8650	0.871	2	116.8650	0.759	2	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>}	116.5410	0.000	1	116.5418	0.066	5	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	116.7895	0.112	2	116.5418	0.066	5	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|Cl<1>,3|C<3>}	116.2945	0.073	2	116.5418	0.066	5	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2{3|C<3>}	116.3785	0.944	2	116.3785	0.891	2	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	115.8050	0.000	1	115.8050	0.000	1	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.5630	0.000	1	116.5630	0.000	1	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.1030	0.000	1	116.1030	0.000	1	116.5316	0.219	16	116.5316	0.219	16	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	116.3840	0.737	2	116.3840	0.543	2	116.3840	0.543	2	116.3840	0.543	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a]){2|N<2>,4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	117.0653	0.050	3	117.0653	0.003	3	117.0653	0.003	3	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(N[6a]N[6a]){6|C<3>}	116.3727	1.087	4	116.3727	1.181	4	116.3727	1.181	4	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	115.1940	0.000	1	115.1940	0.000	1	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a]){2|C<3>,2|N<2>,4|B<6>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	116.0770	0.000	1	116.0770	0.000	1	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,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[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	118.8720	0.000	1	118.8720	0.000	1	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.1650	0.000	1	117.7053	0.265	3	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	117.9755	0.302	2	117.7053	0.265	3	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	118.5970	0.000	1	118.5970	0.000	1	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	117.8440	1.447	4	117.8440	2.095	4	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	116.2420	0.000	1	116.2420	0.000	1	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,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[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	115.8935	0.547	2	115.8935	0.299	2	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.7135	0.693	8	116.6360	0.343	15	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.5474	0.472	7	116.6360	0.343	15	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	116.2940	0.034	2	116.2940	0.001	2	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.7500	0.089	2	117.4315	1.014	47	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.4173	1.027	45	117.4315	1.014	47	117.2137	1.094	78	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	116.4973	1.258	4	116.4973	1.583	4	116.4973	1.583	4	117.1486	1.105	91	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.1205	0.688	2	117.1205	0.473	2	117.1205	0.473	2	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	117.2630	1.850	2	117.2630	3.422	2	117.2630	3.422	2	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]O[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>,2|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])2(C[6a]N[6a]2){2|O<2>,5|C<3>}	116.2680	0.645	2	116.2680	0.416	2	117.0239	0.461	7	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,7|C<3>}	116.9690	0.238	2	117.1642	0.076	4	117.0239	0.461	7	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,7|C<3>}	117.3595	0.139	2	117.1642	0.076	4	117.0239	0.461	7	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,7|C<3>}	117.9740	0.000	1	117.9740	0.000	1	117.0239	0.461	7	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,5|C<3>}	117.2470	1.169	3	117.2470	1.367	3	117.2220	2.494	27	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]N[6a]2){2|H<1>,5|C<3>}	116.5545	0.152	2	116.5545	0.023	2	117.2220	2.494	27	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{2|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	116.5540	1.014	2	116.5540	1.028	2	117.2220	2.494	27	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|O<2>,5|C<3>}	118.4295	1.391	8	117.3518	3.102	20	117.2220	2.494	27	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|N<2>,2|H<1>,4|C<3>}	116.6333	1.649	12	117.3518	3.102	20	117.2220	2.494	27	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C){1|N<2>,3|C<3>}	120.2490	0.000	1	120.2490	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	117.1350	0.000	1	117.1350	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	118.3680	0.000	1	117.7030	0.884	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	117.0380	0.000	1	117.7030	0.884	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.8430	0.942	2	117.7267	0.484	3	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.4940	0.000	1	117.7267	0.484	3	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6]){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.3360	0.000	1	117.3360	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	119.0905	0.063	2	119.0905	0.004	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.1705	0.185	2	118.1705	0.034	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|Si<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.1185	0.565	2	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0110	0.000	1	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.1650	0.479	2	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2150	0.000	1	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.3740	0.000	1	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0953	1.869	3	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.0635	0.648	15	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.2532	0.537	4	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.2690	0.372	2	117.2244	0.626	31	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.7190	0.000	1	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|Si<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4955	0.142	2	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4208	0.613	5	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.7850	0.000	1	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.5003	0.474	3	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.8620	0.000	1	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4390	0.792	2	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.0750	0.574	2	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.8852	1.532	4	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.9697	0.828	3	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.8705	0.187	2	117.1993	0.553	26	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	118.5345	0.988	2	118.5665	0.336	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	118.5985	0.168	2	118.5665	0.336	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.7500	0.000	1	116.7500	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4350	0.000	1	117.4340	0.015	3	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4335	0.170	2	117.4340	0.015	3	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|B<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	116.6200	0.023	2	116.6200	0.001	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,3|C<3>}	117.5015	0.382	4	117.5015	0.146	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.8455	0.255	2	115.8455	0.065	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.6780	0.280	2	117.6780	0.078	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.5795	1.006	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4220	0.899	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4390	0.873	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,1|H<1>,3|C<3>}	117.2053	0.265	14	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,4|C<3>}	116.8960	1.863	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|O<2>,4|C<3>}	117.3012	0.324	4	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.3395	0.756	4	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,4|C<3>}	116.9930	1.539	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0170	0.305	2	117.2979	0.405	34	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	115.4685	0.812	2	115.7050	0.306	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	115.9415	0.189	2	115.7050	0.306	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2{3|C<3>}	116.9195	0.313	2	116.9118	0.583	6	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2{3|C<3>}	116.7720	0.181	2	116.9118	0.583	6	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2{3|C<3>}	117.0440	1.646	2	116.9118	0.583	6	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.0500	0.000	1	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2244	0.340	5	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.9060	0.000	1	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.3250	0.000	1	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.3085	1.012	2	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.1930	0.000	1	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	115.7470	0.000	1	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.4865	1.039	2	116.5666	0.441	14	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.1500	0.408	10	117.1500	0.166	10	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.7713	0.407	3	116.7173	0.122	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.5550	0.000	1	116.7173	0.122	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0660	0.382	2	118.0660	0.146	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	118.0905	3.318	2	118.0905	11.012	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.6225	0.284	4	117.6225	0.081	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(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]){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.6735	0.172	2	117.6735	0.030	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.4355	0.957	2	118.4355	0.915	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(C[6a]N[6a]2){1|H<1>,4|C<3>}	116.6445	1.543	4	116.6445	2.380	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,4|C<3>}	116.8528	2.475	8	116.8528	6.126	8	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,2|N<2>,3|C<3>}	116.7600	1.511	4	116.7600	2.284	4	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2){5|C<3>}	116.8862	1.143	30	116.8862	1.307	30	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.1220	1.549	8	117.1220	2.399	8	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	117.0733	0.963	6	117.0733	0.927	6	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	119.3295	0.614	2	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]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[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	116.3110	0.000	1	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.2035	0.543	4	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	116.6719	0.896	8	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|C<4>,3|C<3>}	117.0662	1.880	4	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.9415	0.953	120	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|O<2>,3|C<3>}	116.9145	0.012	2	116.9378	1.002	141	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4401	0.736	27	117.4401	0.542	27	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.6820	0.123	2	117.6820	0.015	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]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[6a]N[6a])(C[6a]N[6a]S){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.0930	0.000	1	117.0930	0.000	1	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.6987	1.006	12	117.6987	1.012	12	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|P<4>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4062	0.731	6	117.4062	0.535	6	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.7113	0.367	4	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0200	0.640	4	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	118.0655	0.111	2	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.4560	0.181	2	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	117.3937	0.057	6	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,1|N<3>,3|C<3>}	117.5645	0.551	2	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|H<1>,4|C<3>}	117.5496	0.757	20	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.4846	0.700	16	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	117.5423	0.929	202	117.5494	0.761	258	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,5|C<3>}	117.0100	1.071	2	117.0100	1.146	2	117.2873	0.968	681	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4220	0.000	1	121.4220	0.000	1	122.4450	0.501	4	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.8100	0.324	2	122.8100	0.105	2	122.4450	0.501	4	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.7380	0.000	1	122.7380	0.000	1	122.4450	0.501	4	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>}	C[6a](C[6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	120.1985	0.078	2	120.1985	0.006	2	120.1985	0.006	2	117.3183	1.180	725	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.8820	0.000	1	116.0650	0.067	2	116.0650	0.067	2	115.8288	0.329	5	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.2480	0.000	1	116.0650	0.067	2	116.0650	0.067	2	115.8288	0.329	5	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(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[5,6])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.0650	0.363	2	116.0650	0.132	2	116.0650	0.132	2	115.8288	0.329	5	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O[6a])(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[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	115.8288	0.329	5	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	116.6680	0.000	1	116.3954	0.586	7	116.3954	0.586	7	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.8480	1.558	2	116.3954	0.586	7	116.3954	0.586	7	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2940	0.000	1	116.3954	0.586	7	116.3954	0.586	7	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.0367	0.324	3	116.3954	0.586	7	116.3954	0.586	7	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.2770	0.000	1	116.5395	3.188	2	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.8020	0.000	1	116.5395	3.188	2	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1850	0.000	1	116.1850	0.000	1	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.7655	0.773	2	116.8690	0.354	6	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	117.2445	0.453	2	116.8690	0.354	6	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.5970	0.720	2	116.8690	0.354	6	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.8443	0.264	3	116.8443	0.070	3	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Cl<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	116.5738	1.836	5	116.5738	3.371	5	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Pd<4>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	118.0620	1.953	3	118.0620	3.815	3	116.9033	1.662	20	116.7221	1.349	29	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.4950	0.000	1	117.4950	0.000	1	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.3660	0.000	1	116.3660	0.000	1	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.5130	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.4830	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.8410	0.844	2	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	116.6630	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.7380	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	116.9980	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.6080	0.000	1	116.2106	0.562	8	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|H<1>,3|C<3>}	115.1670	0.000	1	115.1670	0.000	1	116.2466	0.668	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.4270	0.000	1	113.4815	1.788	2	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	112.5360	0.000	1	113.4815	1.788	2	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.8700	0.000	1	117.5055	0.332	4	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.1975	0.781	2	117.5055	0.332	4	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.7570	0.000	1	117.5055	0.332	4	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	117.3520	0.000	1	117.3520	0.000	1	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.9610	0.000	1	116.9660	0.567	9	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.4885	0.300	4	116.9660	0.567	9	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	116.6947	0.790	4	116.9660	0.567	9	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.0180	0.033	2	117.0180	0.001	2	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.5500	0.000	1	118.5500	0.000	1	116.8219	1.947	19	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.2800	0.000	1	113.1875	0.017	2	113.8365	0.568	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|N<2>,6|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.0950	0.000	1	113.1875	0.017	2	113.8365	0.568	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.4855	0.042	2	114.4855	0.002	2	113.8365	0.568	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	112.7570	0.000	1	113.6003	1.185	3	113.6003	1.185	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	114.0220	1.141	2	113.6003	1.185	3	113.6003	1.185	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a]){1|C<4>,6|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	112.8160	0.000	1	112.8160	0.000	1	114.3475	1.761	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	115.6720	0.000	1	114.8580	1.078	3	114.3475	1.761	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	113.6890	0.000	1	114.8580	1.078	3	114.3475	1.761	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.2130	0.000	1	114.8580	1.078	3	114.3475	1.761	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6,6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.4970	0.000	1	113.4970	0.000	1	114.4080	0.638	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.7400	0.000	1	114.7400	0.000	1	114.4080	0.638	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){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[6a]){1|C<4>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.9870	0.000	1	114.9870	0.000	1	114.4080	0.638	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.5295	0.156	2	116.5295	0.024	2	115.0132	2.010	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,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[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]2)(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[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.8080	0.000	1	112.8080	0.000	1	115.0132	2.010	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.1380	0.000	1	112.1380	0.000	1	115.0132	2.010	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1612	0.418	6	115.1612	0.175	6	115.0132	2.010	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a]){7|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	116.1730	0.000	1	116.1730	0.000	1	115.0132	2.010	11	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	113.8870	0.000	1	113.8870	0.000	1	115.0059	0.918	13	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.8162	0.383	4	114.8162	0.147	4	115.0059	0.918	13	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.7065	0.851	2	115.5228	0.686	4	115.0059	0.918	13	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.3390	1.095	2	115.5228	0.686	4	115.0059	0.918	13	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.9585	1.420	4	114.9585	2.016	4	115.0059	0.918	13	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,7|C<3>}	116.7535	0.428	4	116.7535	0.183	4	116.7535	0.183	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.7920	0.000	1	112.7920	0.000	1	113.3350	1.293	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.5710	0.000	1	112.5710	0.000	1	113.3350	1.293	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.6420	0.000	1	114.6420	0.000	1	113.3350	1.293	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,7|C<3>}	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(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[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	116.4610	0.000	1	116.4610	0.000	1	117.4280	1.870	2	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.3950	0.000	1	118.3950	0.000	1	117.4280	1.870	2	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,5|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4520	0.000	1	115.4520	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.3850	0.000	1	116.3850	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.2990	0.000	1	111.2990	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.6180	0.000	1	111.6180	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[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[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.2818	1.024	4	113.2818	1.049	4	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4200	0.000	1	116.4200	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.5590	0.000	1	116.5590	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	114.1795	1.426	2	114.1795	2.034	2	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	116.6280	0.567	2	116.6280	0.322	2	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	116.3540	0.000	1	116.3540	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	114.0480	1.334	2	114.0480	1.778	2	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	113.7995	0.285	4	113.7995	0.081	4	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	115.6550	0.000	1	115.6550	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	115.5787	0.468	4	115.5787	0.219	4	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.2425	0.228	2	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	116.1905	0.602	2	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	116.4085	0.077	2	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	115.3920	0.000	1	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.8249	0.656	51	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	115.1170	0.000	1	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|N<2>}	114.5430	0.000	1	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.8345	0.247	2	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	115.2780	0.000	1	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.5293	0.918	3	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.8830	1.427	2	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.6410	0.000	1	115.8514	0.496	69	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.3923	0.845	3	115.9394	0.667	11	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	115.4080	0.000	1	115.9394	0.667	11	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.2497	0.751	7	115.9394	0.667	11	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[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[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.9570	0.000	1	114.9570	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.7970	0.000	1	116.7970	0.000	1	115.5641	1.294	108	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(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]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	114.8148	0.276	4	114.8148	0.076	4	114.8148	0.076	4	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	117.9905	0.408	2	117.9905	0.166	2	117.9905	0.166	2	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[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]N[5a,6a]C[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	120.3640	0.000	1	120.3640	0.000	1	121.0887	1.053	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[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]N[5a,6a]C[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.2630	0.000	1	122.2630	0.000	1	121.0887	1.053	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[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]N[5a,6a]C[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.6390	0.000	1	120.6390	0.000	1	121.0887	1.053	3	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	118.8800	0.000	1	118.8800	0.000	1	119.3716	0.314	5	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.4945	0.564	4	119.4945	0.318	4	119.3716	0.314	5	115.7465	2.597	202	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	113.3543	0.574	3	113.3543	0.329	3	113.9059	2.552	8	113.9059	2.552	8	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	111.5160	0.000	1	111.5160	0.000	1	113.9059	2.552	8	113.9059	2.552	8	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	114.4990	0.000	1	114.4990	0.000	1	113.9059	2.552	8	113.9059	2.552	8	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	113.0150	0.000	1	113.0150	0.000	1	113.9059	2.552	8	113.9059	2.552	8	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	116.0770	0.081	2	116.0770	0.006	2	113.9059	2.552	8	113.9059	2.552	8	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	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[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2	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[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	116.1190	0.465	2	116.1190	0.216	2	116.1190	0.216	2	116.1190	0.216	2	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.2313	1.711	4	113.2313	2.928	4	113.2313	2.928	4	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	112.9915	0.250	2	112.9915	0.062	2	112.9915	0.062	2	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	112.7692	0.415	4	113.3965	0.542	13	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.2230	0.000	1	113.3965	0.542	13	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.7318	0.706	8	113.3965	0.542	13	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.8295	0.158	2	113.0230	0.103	5	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.1520	0.361	3	113.0230	0.103	5	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	116.2993	1.053	3	116.3481	0.244	14	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	116.3360	0.336	9	116.3481	0.244	14	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	116.4760	0.035	2	116.3481	0.244	14	114.6295	2.713	32	114.3961	2.813	38	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	115.0324	1.174	9	115.0324	1.378	9	114.6429	1.856	11	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	112.8900	0.164	2	112.8900	0.027	2	114.6429	1.856	11	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6,6,6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,1|F<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6,6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.7140	0.000	1	114.5737	0.909	4	114.5737	0.909	4	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.5270	1.162	3	114.5737	0.909	4	114.5737	0.909	4	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,3|C<3>,4|B<6>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|C<5>,2|H<1>,2|N<2>}	113.8560	0.000	1	113.8560	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	113.6120	0.000	1	113.6120	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.1000	0.000	1	113.9685	1.509	2	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.8370	0.000	1	113.9685	1.509	2	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	115.7330	0.000	1	115.7330	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|B<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.6490	0.000	1	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.1660	0.000	1	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.3630	0.000	1	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.3295	0.749	2	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	115.4785	0.650	2	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.1750	0.245	3	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.4170	0.000	1	115.9760	0.354	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	111.6915	0.213	2	111.6915	0.045	2	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.4630	0.000	1	114.4630	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	118.0390	0.000	1	118.0390	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	116.5680	0.000	1	116.5680	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|N<2>}	116.9142	1.666	8	116.9592	2.448	9	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,3|N<2>}	117.3190	0.000	1	116.9592	2.448	9	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	117.9635	0.896	2	117.9635	0.803	2	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	117.0140	0.000	1	117.0140	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	114.4270	0.000	1	114.4270	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	113.0075	0.541	2	113.0075	0.293	2	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	115.1580	0.000	1	115.2508	0.325	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	114.8125	0.538	2	115.2508	0.325	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|N<2>,3|C<3>}	115.8490	0.000	1	115.2508	0.325	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	115.3039	0.604	7	115.2508	0.325	11	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	114.3130	0.000	1	114.3130	0.000	1	115.5711	2.749	48	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	115.7280	0.000	1	115.7280	0.000	1	115.7280	0.000	1	115.3389	2.525	65	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(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]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	116.6160	0.000	1	116.6160	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	117.1830	0.000	1	117.1830	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	117.2700	0.000	1	116.8045	0.936	4	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	116.6493	1.123	3	116.8045	0.936	4	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	116.3260	0.234	4	116.7455	0.565	29	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	116.8126	0.786	25	116.7455	0.565	29	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	116.9680	0.000	1	116.3952	0.212	5	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	116.2520	0.382	4	116.3952	0.212	5	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	117.3220	0.000	1	117.3220	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	117.0780	0.328	4	117.1100	0.086	5	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	117.2380	0.000	1	117.1100	0.086	5	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	117.4115	0.158	2	118.8962	3.122	4	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	120.3810	0.723	2	118.8962	3.122	4	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	115.6680	0.000	1	115.6680	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	116.9120	0.156	3	116.9120	0.024	3	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	117.8620	0.000	1	117.8620	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	117.9000	0.000	1	117.9000	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,1|N<2>,2|C<3>}	117.5030	0.000	1	117.5030	0.000	1	116.9603	0.917	57	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	120.8935	0.551	2	120.8935	0.303	2	120.8935	0.303	2	117.0937	1.406	59	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	114.6086	0.873	5	114.6086	0.763	5	115.2865	1.467	8	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Pd){1|N<2>,4|C<3>}	116.4163	0.738	3	116.4163	0.544	3	115.2865	1.467	8	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	116.4370	0.000	1	116.4370	0.000	1	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	116.5620	0.000	1	116.5620	0.000	1	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.6560	0.000	1	116.6560	0.000	1	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.0190	0.000	1	120.0190	0.000	1	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.2060	0.000	1	117.2373	0.534	7	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	117.2250	1.028	2	117.2373	0.534	7	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	116.7333	0.251	3	117.2373	0.534	7	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.8050	0.000	1	117.2373	0.534	7	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.4514	0.449	5	116.4514	0.201	5	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.7955	0.301	2	116.0110	2.470	4	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.2265	1.187	2	116.0110	2.470	4	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.1140	0.000	1	116.1140	0.000	1	116.7976	1.345	21	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	114.5180	0.000	1	114.5180	0.000	1	114.9100	0.307	2	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	115.3020	0.000	1	115.3020	0.000	1	114.9100	0.307	2	116.2859	1.825	31	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:N[6a]-2:	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	115.5220	0.000	1	115.5220	0.000	1	116.6045	0.883	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:N[6a]-2:	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.1310	0.000	1	116.1310	0.000	1	116.6045	0.883	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:N[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	117.3825	0.204	2	117.3825	0.042	2	116.6045	0.883	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	113.9235	0.346	2	113.9235	0.120	2	114.8035	1.125	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	115.6835	0.397	2	115.6835	0.157	2	114.8035	1.125	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	113.3300	0.256	2	113.3300	0.066	2	113.3300	0.066	2	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	111.1155	0.736	4	111.1155	0.542	4	111.1155	0.542	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	114.5940	0.000	1	114.5940	0.000	1	113.7212	2.409	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	114.4200	0.578	2	114.4200	0.335	2	113.7212	2.409	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	111.4510	0.000	1	111.4510	0.000	1	113.7212	2.409	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	115.9630	1.072	12	115.9630	1.148	12	115.9898	0.880	32	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	115.4560	1.267	2	115.4560	1.606	2	115.9898	0.880	32	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.0823	0.954	14	116.0669	0.727	18	115.9898	0.880	32	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.3645	0.035	2	116.0669	0.727	18	115.9898	0.880	32	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	115.6615	0.132	2	116.0669	0.727	18	115.9898	0.880	32	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(N[6a]N[6a])	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	117.3365	0.623	4	117.3365	0.389	4	116.9990	0.343	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	117.0170	0.000	1	117.0170	0.000	1	116.9990	0.343	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	116.5070	0.382	2	116.5070	0.146	2	116.9990	0.343	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	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>}	116.6150	0.000	1	116.6150	0.000	1	116.9990	0.343	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	118.0960	0.549	2	118.0960	0.301	2	116.5795	3.179	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	115.0630	0.188	2	115.0630	0.035	2	116.5795	3.179	4	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	116.4300	0.472	2	116.4300	0.223	2	117.2856	0.506	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	117.6690	0.000	1	117.6797	0.394	4	117.2856	0.506	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	117.3010	0.000	1	117.6797	0.394	4	117.2856	0.506	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	117.8745	0.981	2	117.6797	0.394	4	117.2856	0.506	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	117.3530	0.201	2	117.3530	0.040	2	117.2856	0.506	8	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.3852	1.066	4	116.3852	1.137	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.8615	0.292	4	116.8615	0.085	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	113.6580	0.000	1	113.6580	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.6090	0.174	2	115.6090	0.030	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.3010	0.000	1	115.3010	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	114.9620	0.000	1	114.2300	0.407	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	113.8640	0.106	2	114.2300	0.407	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	114.5950	0.731	2	114.5950	0.535	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	114.0941	0.897	10	114.0941	0.804	10	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	113.2550	0.000	1	113.2550	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	115.1000	0.153	2	115.1000	0.023	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.4080	0.000	1	114.0027	0.920	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	113.5343	0.253	3	114.0027	0.920	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	113.3420	0.000	1	113.3420	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.4686	0.377	5	116.3284	0.205	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.9360	0.272	3	116.3284	0.205	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.0045	0.261	2	116.3284	0.205	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.8905	0.250	2	116.3284	0.205	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	115.8195	0.394	4	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	116.0525	0.244	2	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.0400	0.323	3	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.9657	1.617	3	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.8692	0.304	4	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	115.4048	0.415	17	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	115.9555	0.902	2	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1273	0.710	7	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.3822	0.722	14	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.4160	1.431	2	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.8053	0.275	3	115.9206	0.505	61	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	117.9850	0.000	1	117.9850	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	115.1630	0.000	1	115.9068	0.748	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,7|C<3>}	115.2860	0.000	1	115.9068	0.748	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	116.5890	0.611	2	115.9068	0.748	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	118.9675	1.966	4	117.2656	2.699	13	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	116.1250	0.000	1	117.2656	2.699	13	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	116.5572	0.747	8	117.2656	2.699	13	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	117.4340	0.000	1	116.5460	2.060	6	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	117.1780	0.000	1	116.5460	2.060	6	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.2637	2.052	3	116.5460	2.060	6	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.8730	0.000	1	116.5460	2.060	6	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	116.8305	0.343	2	116.9404	0.123	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	117.0137	0.409	3	116.9404	0.123	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,2|H<1>,3|C<3>}	115.6190	0.580	4	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.3765	0.128	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2640	0.100	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.4695	0.635	20	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.4135	0.453	4	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<5>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9780	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.7910	0.175	3	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	115.9595	0.303	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.7413	0.166	3	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	117.0260	0.284	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2678	0.625	10	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.7129	1.364	37	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	116.3587	0.690	6	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9477	0.613	15	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	118.8620	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	117.0280	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	115.5470	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.2410	0.441	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.0612	0.651	12	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.1650	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	116.7551	1.556	18	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	115.9158	0.959	5	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.6376	0.623	5	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.6992	0.588	10	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.0502	0.790	14	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<5>,2|H<1>,3|C<3>}	116.3050	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	116.1647	0.712	3	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	116.6335	0.021	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	116.4905	0.057	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	116.6756	0.509	12	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	116.5717	0.636	22	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	116.5176	0.417	8	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	116.2917	0.369	3	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	116.1370	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	116.7505	1.149	194	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.0500	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	118.5150	3.693	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.7293	0.473	7	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	115.9270	0.042	2	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	116.0060	0.000	1	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.2997	0.770	54	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.5971	1.468	130	116.6070	1.265	626	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	115.4893	0.572	3	115.5974	0.151	14	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,4|C<3>}	115.6999	0.253	9	115.5974	0.151	14	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	115.2985	0.697	2	115.5974	0.151	14	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.1720	0.349	3	117.1720	0.122	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.0017	0.690	3	116.0017	0.476	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	117.0407	2.450	3	118.0953	3.089	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	119.4485	0.343	4	118.0953	3.089	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	117.6456	1.577	5	118.0953	3.089	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	115.8943	0.872	31	115.8943	0.761	31	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	115.4207	0.295	8	117.6045	3.387	41	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	118.3296	1.759	25	117.6045	3.387	41	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	117.5224	1.149	8	117.6045	3.387	41	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.6995	0.060	2	116.6995	0.004	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.7020	0.479	3	116.0315	0.184	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2640	0.000	1	116.0315	0.184	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	115.9415	0.906	2	116.0315	0.184	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1875	0.203	6	116.0315	0.184	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9665	0.207	2	116.9665	0.043	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.6235	0.537	2	116.0840	0.354	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.6850	0.385	2	116.0840	0.354	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.8030	0.000	1	116.0840	0.354	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.4865	0.738	2	117.4865	0.544	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1150	0.000	1	116.1150	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.7400	0.000	1	116.7400	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.1645	0.566	2	117.1645	0.321	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.6430	0.025	2	116.8607	0.454	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	117.0785	1.083	2	116.8607	0.454	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.4200	0.038	2	116.4200	0.001	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2787	0.821	17	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.2675	0.170	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2516	0.485	10	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.7370	0.030	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2950	0.628	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.1415	1.074	12	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2575	0.672	18	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.7250	0.035	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2218	0.274	6	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.3200	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.8130	0.339	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.7100	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.4282	0.523	13	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.4565	0.135	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.2778	0.684	178	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.6410	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	118.9865	4.238	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	115.7710	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.7413	0.524	3	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1640	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	115.2130	0.000	1	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	116.7588	0.685	5	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.0705	0.360	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.3225	0.540	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	115.5865	1.334	6	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	116.4785	0.375	6	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	116.9020	0.140	2	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.3243	0.694	11	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.1278	1.198	26	116.2795	0.675	337	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	116.1293	0.457	6	116.0812	0.157	8	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	115.9370	0.059	2	116.0812	0.157	8	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	115.7006	0.422	7	115.7006	0.178	7	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.5710	0.000	1	116.4720	1.624	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.3730	0.000	1	116.4720	1.624	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.0290	0.000	2	116.8365	0.104	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.3580	0.000	1	116.8365	0.104	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9300	0.000	1	116.8365	0.104	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	115.2690	0.000	1	116.4735	0.409	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.7140	0.000	1	116.4735	0.409	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	117.0420	0.000	1	116.4735	0.409	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.3320	0.000	1	116.4735	0.409	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.5406	0.611	8	116.4735	0.409	12	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	115.9790	0.040	2	115.9790	0.002	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	114.8300	0.000	1	115.9250	1.046	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.4725	0.541	2	115.9250	1.046	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	116.5670	0.184	2	117.2487	1.411	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.6120	0.000	1	117.2487	1.411	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.8730	0.031	2	116.8730	0.001	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	114.7330	1.726	3	114.7330	2.979	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.2643	0.708	4	115.1199	1.870	14	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	114.6621	1.311	10	115.1199	1.870	14	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	116.1115	0.333	2	116.1115	0.111	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.4740	1.243	3	116.4740	1.545	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.1925	0.614	2	116.1925	0.378	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	114.3682	2.603	5	114.3682	6.774	5	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	111.8310	0.000	1	112.2347	0.122	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	112.4365	0.015	2	112.2347	0.122	3	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	111.0650	0.382	2	111.0650	0.146	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.4080	0.450	4	118.4080	0.203	4	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	117.3940	0.236	6	117.3910	0.272	9	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.7550	0.000	1	117.3910	0.272	9	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	117.2000	1.302	2	117.3910	0.272	9	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	117.6120	0.000	1	117.4870	0.031	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	117.3620	0.000	1	117.4870	0.031	2	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	116.3435	0.767	8	115.1375	6.493	13	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.2080	3.300	5	115.1375	6.493	13	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	115.8852	0.630	8	115.0114	1.570	16	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	114.1376	1.105	8	115.0114	1.570	16	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	113.1506	2.306	19	113.1506	5.319	19	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	111.4320	0.000	1	111.4320	0.000	1	116.3395	1.718	1379	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	116.5770	0.000	1	116.5770	0.000	1	115.9935	0.681	2	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	115.4100	0.000	1	115.4100	0.000	1	115.9935	0.681	2	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	114.8360	0.000	1	114.8360	0.000	1	117.7135	16.560	2	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){3|C<3>,3|H<1>}	120.5910	0.000	1	120.5910	0.000	1	117.7135	16.560	2	116.3134	1.808	1453	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[5,6,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3895	1.012	2	114.4300	0.517	3	116.7960	10.769	5	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.5110	0.000	1	114.4300	0.517	3	116.7960	10.769	5	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	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[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	120.3450	0.239	2	120.3450	0.057	2	116.7960	10.769	5	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a,6a]-3:C[6a]-3:C[6a]-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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[6a]C[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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	117.6410	0.000	1	117.6410	0.000	1	117.6410	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.9450	0.000	1	115.9450	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.2080	0.000	1	116.4945	1.074	10	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.2350	0.000	1	116.4945	1.074	10	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.5340	1.057	6	116.4945	1.074	10	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.6490	1.352	2	116.4945	1.074	10	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	116.5460	0.000	1	116.5460	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.8980	0.000	1	117.8980	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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]N[6a])	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<2>,3|C<3>}	116.7830	0.000	1	116.7830	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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]Cl)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.0140	0.000	1	117.0140	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,4|C<3>}	118.3190	0.000	1	118.3190	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.1030	0.000	1	118.0395	0.008	2	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	117.9760	0.000	1	118.0395	0.008	2	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	117.0190	0.281	3	117.0190	0.079	3	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]C)2{1|N<2>,2|H<1>,3|C<3>}	119.4420	0.000	1	119.4420	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	118.9970	0.000	1	118.9970	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	118.3900	0.000	1	118.3900	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.3395	0.452	6	117.3023	0.143	9	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.2635	0.302	2	117.3023	0.143	9	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.1570	0.000	1	117.3023	0.143	9	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]N)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,3|C<3>}	117.9240	0.000	1	117.9240	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.5360	0.000	1	116.5360	0.000	1	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.2110	0.636	2	117.2110	0.405	2	117.1897	0.904	37	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	113.4610	1.237	2	113.4610	1.531	2	114.1227	1.815	4	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-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]H)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.8240	0.000	1	115.8240	0.000	1	114.1227	1.815	4	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	113.7450	0.000	1	113.7450	0.000	1	114.1227	1.815	4	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	113.3230	0.000	1	113.3230	0.000	1	114.2630	1.168	3	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.4440	0.000	1	114.7330	1.011	2	114.2630	1.168	3	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.0220	0.000	1	114.7330	1.011	2	114.2630	1.168	3	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	116.0137	0.695	3	116.0830	0.341	4	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	116.2910	0.000	1	116.0830	0.341	4	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	116.5270	0.000	1	115.9705	0.619	2	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|N<3>,3|H<1>,7|C<3>}	115.4140	0.000	1	115.9705	0.619	2	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|P<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P){2|H<1>,6|C<3>}	116.5800	0.000	1	116.5800	0.000	1	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|Pd<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]Pd){2|H<1>,6|C<3>}	116.8615	1.869	2	116.8615	3.493	2	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|S<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]S){2|H<1>,6|C<3>}	115.0710	0.634	4	115.0710	0.402	4	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|P<3>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P){2|H<1>,6|C<3>}	116.8960	0.228	2	116.8960	0.052	2	116.0435	0.948	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3190	0.000	1	114.3190	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3830	0.000	1	114.3830	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.7595	0.132	2	115.2767	1.009	4	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.7940	1.393	2	115.2767	1.009	4	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.2270	0.000	1	114.8785	0.849	2	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.5300	0.000	1	114.8785	0.849	2	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,4|C<3>}	113.0230	0.000	1	113.0230	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){4|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	115.3330	0.000	1	115.9410	0.739	2	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){4|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.5490	0.000	1	115.9410	0.739	2	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){7|C<3>}	116.3290	0.000	1	116.3290	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.9800	0.000	1	115.7861	0.404	20	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.7233	0.586	19	115.7861	0.404	20	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	113.6440	0.000	1	113.6440	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3730	0.000	1	114.3730	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.9960	0.000	1	114.9960	0.000	1	115.4153	0.867	35	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a,6a]-3:C[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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]O)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	115.6630	0.000	1	115.6630	0.000	1	115.6630	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[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[6a,6a]-3:C[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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,6|C<3>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.1525	0.182	2	116.1525	0.033	2	116.1525	0.033	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[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[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]N[6a]){1|H<1>,2|C<3>,2|C<4>,2|N<3>,3|N<2>}	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	115.3710	0.000	1	115.2890	0.013	2	116.1525	0.582	6	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	115.2070	0.000	1	115.2890	0.013	2	116.1525	0.582	6	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	116.6870	0.786	2	116.6870	0.618	2	116.1525	0.582	6	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.4815	0.016	2	116.4815	0.000	2	116.1525	0.582	6	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.3735	0.090	2	117.3735	0.008	2	117.3735	0.008	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,7|C<3>}	115.1730	0.000	1	115.1730	0.000	1	115.8275	0.857	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|N<2>,3|H<1>,6|C<3>}	116.4820	0.000	1	116.4820	0.000	1	115.8275	0.857	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	114.5403	1.204	3	114.5403	1.450	3	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.2450	0.000	1	118.2450	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	117.0150	0.000	1	117.0150	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.2600	0.000	1	119.2600	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	116.2770	0.000	1	116.2770	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.5310	0.284	2	116.5310	0.081	2	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	117.2240	0.000	1	117.2240	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.9610	0.000	1	117.1980	0.631	3	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.8165	0.623	2	117.1980	0.631	3	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]N){3|H<1>,5|C<3>}	116.6970	0.000	1	116.6970	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|H<1>,5|C<3>}	116.5670	0.000	1	116.5670	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.0515	0.595	4	116.0515	0.354	4	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	115.2780	0.000	1	115.2780	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.2670	1.025	2	116.2670	1.051	2	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	115.9990	0.300	2	115.9990	0.090	2	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.8180	0.000	1	117.8180	0.000	1	116.4558	1.482	25	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.9840	0.000	1	112.9840	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.2700	0.000	1	112.2700	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.5270	0.000	1	113.5270	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.8650	0.000	1	114.8650	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5880	0.000	1	116.5880	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.9465	0.569	2	113.9465	0.324	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C[6a])(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.5440	0.000	1	113.5440	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C[6a])(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]N)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.3330	0.000	1	113.3330	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.4760	0.000	1	114.4760	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.5390	0.000	1	115.5390	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4230	0.000	1	115.4230	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.7650	0.000	1	114.3125	0.600	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.8600	0.000	1	114.3125	0.600	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1730	0.000	1	115.1730	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8630	0.000	1	115.8630	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.0700	0.000	1	114.0700	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.1675	0.671	2	113.1675	0.450	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.5445	0.282	2	112.5445	0.080	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.4120	0.000	1	113.1887	0.458	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.5770	0.109	2	113.1887	0.458	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.1647	0.299	4	113.1647	0.090	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.0093	0.701	3	113.0093	0.492	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.9070	0.000	1	114.7020	1.021	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.0995	1.046	2	114.7020	1.021	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.3273	0.469	3	113.3273	0.220	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.0880	0.000	1	113.0880	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.7940	0.000	1	114.9005	0.023	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.0070	0.000	1	114.9005	0.023	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.0010	0.000	1	115.0010	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.0700	0.205	2	115.0700	0.042	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.2380	0.464	4	115.2380	0.215	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.6740	0.158	2	114.6740	0.025	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.1310	0.000	1	115.1310	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.1420	0.000	1	115.1420	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	114.3230	0.000	1	115.2931	0.383	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4548	0.489	6	115.2931	0.383	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|Se<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9950	0.000	1	115.9950	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	112.8270	0.000	1	112.8270	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	114.7800	0.000	1	114.7800	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	113.7395	0.390	2	113.7395	0.152	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	113.9940	0.000	1	113.9940	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,2|H<1>,3|C<3>}	114.4347	0.926	3	114.4347	0.858	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.6569	0.872	7	114.7600	0.850	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.2920	0.491	2	114.7600	0.850	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.5890	1.344	2	114.7600	0.850	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.6250	0.000	1	114.4120	2.943	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.1990	0.000	1	114.4120	2.943	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.1530	0.000	1	114.3620	0.171	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.2640	0.000	1	114.3620	0.171	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.9700	0.000	1	114.3620	0.171	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.0610	0.000	1	114.3620	0.171	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	114.7400	0.000	1	114.7400	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.8250	0.503	3	115.2002	1.800	9	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1415	0.220	2	115.2002	1.800	9	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	116.2610	1.105	4	115.2002	1.800	9	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.9820	0.672	2	115.4715	0.778	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1650	0.000	1	115.4715	0.778	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.4095	1.155	4	115.4715	0.778	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.5177	0.627	3	115.4715	0.778	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	116.8670	0.000	1	115.4715	0.778	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,3|C<3>}	113.9710	0.000	1	113.9710	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.7530	0.000	1	112.7530	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|S<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.1810	0.505	2	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.6680	0.000	1	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|H<1>}	115.4565	0.460	2	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	116.0832	1.058	4	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.9610	0.000	1	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.7430	0.132	2	115.4769	0.829	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.2855	0.351	2	113.2855	0.124	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.5940	0.000	1	113.9172	1.631	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.5180	0.000	1	113.9172	1.631	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.4640	0.000	1	113.9172	1.631	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.5050	0.949	2	113.9172	1.631	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|F<1>,1|H<1>,3|C<3>}	116.2990	0.610	2	116.2990	0.372	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	117.4780	0.000	1	117.4780	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	115.4200	0.000	1	115.8490	0.368	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	116.2780	0.000	1	115.8490	0.368	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	117.2410	0.000	1	117.2410	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2310	0.263	2	116.4198	0.197	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6980	0.000	1	116.4198	0.197	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8280	0.000	1	116.4198	0.197	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7655	0.419	2	116.4198	0.197	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.4910	0.000	1	115.4910	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	115.8330	0.092	2	116.4950	0.907	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	117.1570	0.980	2	116.4950	0.907	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.1265	0.250	2	116.1265	0.062	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	117.6700	0.000	1	118.2340	0.636	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	118.7980	0.000	1	118.2340	0.636	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.2320	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	115.7350	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.4975	0.262	2	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	117.1490	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,2|H<1>,3|C<3>}	117.0180	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	116.4980	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	117.0390	0.000	1	116.5833	0.236	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8750	0.923	2	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.5920	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.1260	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2203	0.368	3	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3390	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.0650	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	115.6760	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.0145	0.692	6	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	116.0340	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.5820	0.000	1	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.3430	3.415	4	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4545	0.115	2	116.7997	2.393	24	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	118.2300	0.000	1	118.2300	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	116.2820	0.000	1	115.5930	0.949	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]F){1|F<1>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	114.9040	0.000	1	115.5930	0.949	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.8750	0.000	1	116.8750	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.9020	0.000	1	116.9020	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	115.7990	0.000	1	115.7990	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,4|C<3>}	114.2070	0.000	1	114.2070	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)2{1|H<1>,5|C<3>}	117.1925	1.300	2	117.1925	1.691	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	115.7770	0.000	1	115.7770	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.1290	0.000	1	116.8135	1.471	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.4570	0.000	1	116.8135	1.471	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	115.8000	0.000	1	116.8135	1.471	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.9320	0.000	1	116.8135	1.471	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.8077	0.868	11	116.8135	1.471	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])2{1|H<1>,2|N<3>,7|C<3>}	116.2250	0.000	1	116.2250	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.6060	0.000	1	114.7128	0.192	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.1990	0.000	1	114.7128	0.192	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){3|C<3>,3|H<1>}	114.1400	0.000	1	114.7128	0.192	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|F<1>,3|C<3>}	114.8095	0.416	2	114.7128	0.192	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	114.9250	0.000	1	114.9250	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	117.6544	0.760	7	117.6544	0.578	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.7320	0.175	2	116.8581	0.240	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	117.9680	0.000	1	116.8581	0.240	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.8333	0.487	3	116.8581	0.240	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	116.6333	0.180	3	116.8581	0.240	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	116.8035	0.641	2	116.8581	0.240	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	116.1170	0.176	4	116.1170	0.031	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.2125	0.849	2	114.9715	0.401	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	114.3780	0.000	1	114.9715	0.401	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	115.0830	0.000	1	114.9715	0.401	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	115.9600	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6560	1.396	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.5020	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8735	0.015	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	116.2465	0.465	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	116.7250	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.4650	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.6823	1.913	3	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	116.9398	1.214	4	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.7455	0.043	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.1710	1.329	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	115.3630	0.487	3	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.6908	0.577	4	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6198	1.218	11	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9950	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6040	0.000	1	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3735	0.392	2	116.5549	1.356	43	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.8320	0.000	1	116.8320	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.9560	0.000	1	117.9560	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	113.2935	0.008	2	113.4038	0.029	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H){3|C<3>,3|H<1>}	113.5140	0.197	2	113.4038	0.029	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6,6a]N)(C[6a]C[6a]H){1|C<2>,1|H<1>,4|C<3>}	118.0650	0.000	1	118.0650	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	115.2520	0.000	1	115.2520	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	116.6730	1.073	5	116.6730	1.152	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	115.5380	0.000	1	116.3383	0.483	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	116.7385	0.077	2	116.3383	0.483	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.1940	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5400	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.1370	0.344	2	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6810	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.1460	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.6500	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4455	0.235	2	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4000	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.5230	0.000	1	116.3908	0.159	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	114.5430	0.000	1	114.5430	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8245	0.360	4	115.9234	0.113	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.0149	0.162	10	115.9234	0.113	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3340	0.115	3	115.9234	0.113	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.4857	0.267	4	115.9234	0.113	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|P<4>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	116.6810	0.000	1	116.6810	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.3970	0.000	1	115.3970	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	114.6810	0.000	1	114.6810	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,4|C<3>}	114.3560	0.000	1	114.3560	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3765	0.312	2	116.4470	0.064	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	116.5880	0.000	1	116.4470	0.064	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	116.2047	0.835	3	116.2047	0.698	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.6950	0.274	2	115.6950	0.075	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4329	0.849	18	116.4453	0.683	19	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6680	0.000	1	116.4453	0.683	19	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	114.9160	0.000	1	114.9160	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	116.2447	0.453	6	116.1233	0.255	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	115.9776	0.578	5	116.1233	0.255	11	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.9020	0.000	1	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6092	0.497	5	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.5620	0.000	1	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.6450	0.238	2	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>}	116.9160	0.000	1	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7621	0.496	10	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8480	0.000	1	116.5802	0.287	21	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.3565	0.477	2	116.3565	0.228	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	116.5180	0.474	2	116.5180	0.224	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	116.0210	1.056	5	116.0862	0.918	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<4>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	116.4120	0.000	1	116.0862	0.918	6	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	116.7297	0.360	8	116.5967	0.154	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3305	0.350	4	116.5967	0.154	12	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.5955	0.343	2	116.5955	0.118	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.8950	0.659	2	116.8950	0.434	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	117.0400	0.000	1	117.0400	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	117.0545	0.923	2	117.0545	0.852	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	116.7660	0.000	1	116.1311	1.791	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	115.6715	0.920	2	116.1311	1.791	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	117.6605	0.125	2	116.1311	1.791	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	114.7440	0.731	2	116.1311	1.791	7	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]F){2|H<1>,3|C<3>}	113.7570	0.000	1	113.7570	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	115.7720	0.498	2	115.7720	0.248	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	115.6250	0.000	1	115.6250	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7680	0.410	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3070	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.7205	0.103	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.8075	0.091	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3460	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2955	0.394	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.0680	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.1670	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.3560	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>}	117.0175	0.274	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2527	0.507	12	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.6990	0.575	39	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4385	0.935	36	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7710	0.232	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4455	0.527	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4190	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	122.8460	0.000	1	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.9285	1.122	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.9359	0.463	8	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.3210	0.665	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.0390	0.410	2	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.9060	0.518	3	116.2242	0.925	125	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.7780	0.000	1	116.7780	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.8460	0.000	1	116.0958	0.782	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	115.3583	0.432	3	116.0958	0.782	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.1408	0.790	5	116.0958	0.782	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.3020	1.059	6	116.0958	0.782	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	114.2130	0.000	1	114.2130	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.8710	0.000	1	115.8710	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.2417	0.434	3	115.2417	0.189	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.4080	0.315	3	116.4080	0.100	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	116.0590	0.000	1	116.0590	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.2060	0.000	1	117.2060	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.6459	0.698	13	116.7005	0.441	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	117.0555	0.197	2	116.7005	0.441	15	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7520	0.000	1	117.7520	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.5170	0.054	2	115.5170	0.003	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	114.3810	0.000	1	116.3644	1.600	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.8603	0.703	4	116.3644	1.600	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	116.2630	0.000	1	116.2630	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	115.2965	0.227	4	115.2965	0.052	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.2140	0.000	1	115.2052	0.181	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.2030	0.491	4	115.2052	0.181	5	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	116.7703	0.484	4	116.7703	0.234	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	114.7880	0.000	1	114.7880	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	115.9010	0.000	1	116.3525	0.408	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.8040	0.000	1	116.3525	0.408	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	114.6030	0.000	1	114.6030	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|S<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	114.8520	0.092	2	114.8520	0.008	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.6110	0.000	1	116.6110	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	115.0720	0.000	1	115.0720	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.3145	0.262	2	115.3145	0.069	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.0380	0.000	1	116.0380	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.0750	0.000	1	120.0750	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	116.0820	0.000	1	116.0820	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	117.1830	0.000	1	117.1435	0.003	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	117.1040	0.000	1	117.1435	0.003	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.4650	0.000	1	118.4650	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.2720	0.779	2	118.2720	0.607	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	117.6110	0.505	2	117.6110	0.255	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	118.5690	0.000	1	118.5690	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,1|O<1>,3|C<3>}	118.3170	0.000	1	118.3170	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.0820	0.501	2	118.0820	0.251	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.5910	0.000	1	118.5910	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3700	0.000	1	114.3700	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	114.5212	0.827	9	114.5212	0.684	9	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	120.1100	0.635	2	119.7240	0.650	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.3380	0.974	2	119.7240	0.650	4	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	112.7880	0.000	1	112.7880	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.3860	0.000	1	112.3860	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.2980	0.000	1	112.2980	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.6130	0.000	1	114.8620	0.124	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1110	0.000	1	114.8620	0.124	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.9110	0.000	1	113.5893	0.079	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.4285	0.054	2	113.5893	0.079	3	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	115.5780	0.669	2	115.5780	0.447	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>}	115.4770	0.000	1	115.6536	0.527	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.6789	0.780	7	115.6536	0.527	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.5600	0.000	1	116.5600	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	114.8430	0.000	1	114.8430	0.000	1	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.3825	0.199	2	116.3825	0.039	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.8060	0.000	1	115.3768	0.436	30	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	115.3620	0.667	29	115.3768	0.436	30	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	115.7640	0.000	1	116.2403	0.717	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.0673	0.884	3	116.2403	0.717	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.4890	0.982	4	116.2403	0.717	8	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|Si<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	113.1565	0.776	2	113.1565	0.602	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	115.1810	0.584	2	115.1810	0.341	2	115.9284	1.751	724	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	116.1640	0.000	1	116.1640	0.000	1	114.0457	3.418	3	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	112.9865	0.323	2	112.9865	0.104	2	114.0457	3.418	3	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	116.2215	0.677	2	116.2215	0.458	2	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	116.1250	0.000	1	116.0392	0.147	5	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	116.0178	0.439	4	116.0392	0.147	5	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	116.1970	0.000	1	116.4505	0.465	4	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	116.1020	0.000	1	116.4505	0.465	4	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	116.0350	0.000	1	116.4505	0.465	4	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	117.4680	0.000	1	116.4505	0.465	4	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	116.9420	0.000	1	116.9420	0.000	1	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	114.5643	0.764	3	114.5643	0.584	3	115.9384	0.824	15	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,4|C<3>}	117.0040	0.322	2	117.0040	0.104	2	119.4490	3.901	7	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	119.1000	0.000	1	119.1000	0.000	1	119.4490	3.901	7	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6a]N[6a]2){3|C<3>,3|H<1>}	121.1850	0.805	2	121.1850	0.648	2	119.4490	3.901	7	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	121.5550	0.000	1	121.5550	0.000	1	119.4490	3.901	7	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){3|C<3>,3|H<1>}	119.1100	0.000	1	119.1100	0.000	1	119.4490	3.901	7	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.2560	0.451	4	118.2560	0.203	4	118.2560	0.203	4	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	117.9825	0.555	4	117.9825	0.308	4	117.9825	0.308	4	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){1|C<4>,2|H<1>,3|C<3>}	115.9060	0.000	1	115.9060	0.000	1	116.3465	0.388	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	0:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6a]N[6a]2){2|H<1>,4|C<3>}	116.7870	0.000	1	116.7870	0.000	1	116.3465	0.388	2	116.0103	1.923	902	116.4620	2.161	4188	117.7252	2.746	10310
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:2:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	123.4406	0.285	5	123.4406	0.081	5	123.4406	0.081	5	123.2136	0.205	7	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:2:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	122.6460	0.006	2	122.6460	0.000	2	122.6460	0.000	2	123.2136	0.205	7	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	123.3943	0.498	3	123.3943	0.248	3	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	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[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	122.4090	0.000	1	122.4090	0.000	1	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	123.1250	0.000	1	123.1250	0.000	1	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	123.3930	0.000	1	123.3930	0.000	1	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	123.4502	0.476	5	123.4502	0.227	5	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6,6a]	N[6a]	C[6,6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	122.9630	0.000	1	122.9630	0.000	1	123.2770	0.226	12	123.2770	0.226	12	123.2536	0.207	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	126.3980	0.000	1	126.3980	0.000	1	126.3980	0.000	1	126.3980	0.000	1	126.3980	0.000	1	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	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[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	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[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,2|H<1>,5|C<3>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	122.1080	3.277	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	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[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	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[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,3|C<3>,3|H<1>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.1080	3.277	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H){1|N<3>,2|H<1>,3|N<2>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	122.1080	3.277	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|H<1>,3|C<4>,4|C<3>}	124.3365	0.114	2	124.3365	0.013	2	124.3365	0.013	2	124.3365	0.013	2	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,7|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2){7|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	122.0440	0.000	1	122.0440	0.000	1	122.3500	0.267	3	122.9422	0.920	5	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.9470	0.000	1	122.9470	0.000	1	122.3500	0.267	3	122.9422	0.920	5	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	122.0590	0.000	1	122.0590	0.000	1	122.3500	0.267	3	122.9422	0.920	5	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	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:C[6a,6a]-3:	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[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	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[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	123.3240	0.000	1	123.3240	0.000	1	123.8305	0.513	2	122.9422	0.920	5	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	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:C[6a,6a]-3:	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[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	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[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	124.3370	0.000	1	124.3370	0.000	1	123.8305	0.513	2	122.9422	0.920	5	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:2:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2{2|N<2>,3|C<4>,4|H<1>}	121.2687	0.580	6	121.1989	0.142	14	121.1989	0.142	14	121.5006	1.498	15	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:2:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|N<2>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6,6a]){2|C<3>,2|C<4>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2{2|N<2>,3|C<4>,4|H<1>}	121.1465	0.129	8	121.1989	0.142	14	121.1989	0.142	14	121.5006	1.498	15	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:2:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a])	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a]){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<3>}	125.7250	0.000	1	125.7250	0.000	1	125.7250	0.000	1	121.5006	1.498	15	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a]){1|C<4>,4|H<1>,5|C<3>}	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	123.6110	0.505	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|C<4>,2|H<1>,5|C<3>}	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	123.6110	0.505	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	122.7920	0.000	1	122.7920	0.000	1	122.7920	0.000	1	123.6110	0.505	3	122.1795	2.200	29	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:C[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<2>,1|C<3>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>}	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){4|C<3>}	122.2175	0.168	2	122.2175	0.028	2	122.6915	0.245	6	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(O[6]C[6,6a]){4|C<3>}	122.9285	0.418	4	122.9285	0.175	4	122.6915	0.245	6	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[5a,6]){4|C<3>}	121.3875	0.452	6	121.3875	0.204	6	121.6673	0.771	11	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6a]C[6a,6a])(S[6]C[6]){1|S<2>,3|C<3>}	122.0030	1.189	5	122.0030	1.413	5	121.6673	0.771	11	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,3|C<3>}	121.7725	0.182	4	121.7725	0.033	4	121.9983	0.159	6	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.4500	0.287	2	122.4500	0.082	2	121.9983	0.159	6	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:2:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]S[6])(S[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	121.2400	0.040	2	121.2400	0.002	2	121.2400	0.002	2	121.8609	1.022	28	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5]){1|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	121.6820	5.450	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,2|C<3>}	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>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	121.6820	5.450	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	123.6530	0.072	2	123.6530	0.005	2	123.6530	0.005	2	121.6820	5.450	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,4|C<3>}	122.7705	0.078	2	122.7705	0.006	2	122.7705	0.006	2	123.0267	0.256	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|Cl<1>,3|C<3>}	122.7830	0.000	1	122.7830	0.000	1	123.2830	0.500	2	123.0267	0.256	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:2:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(O[6]C[5a,6])(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|C<4>,3|C<3>}	123.7830	0.000	1	123.7830	0.000	1	123.2830	0.500	2	123.0267	0.256	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]){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|C<2>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>}	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,4|C<3>}	122.1580	0.000	1	122.1580	0.000	1	122.1580	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni){1|H<1>,2|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]N[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a]){1|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	125.9970	0.000	1	125.9970	0.000	1	126.5610	0.290	5	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	127.4420	0.000	1	127.4420	0.000	1	126.5610	0.290	5	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	126.5810	0.000	1	126.5810	0.000	1	126.5610	0.290	5	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|C<4>,2|H<1>,5|C<3>}	126.3280	0.000	1	126.3925	0.008	2	126.5610	0.290	5	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]O[6]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	126.4570	0.000	1	126.3925	0.008	2	126.5610	0.290	5	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){4|C<3>}	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,2|C<3>}	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){2|C<3>,2|C<4>}	124.3880	0.000	1	124.3880	0.000	1	124.4637	0.009	3	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	124.4310	0.000	1	124.5015	0.010	2	124.4637	0.009	3	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>}	124.5720	0.000	1	124.5015	0.010	2	124.4637	0.009	3	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5]){1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	124.3519	5.266	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	127.1525	0.473	2	127.1525	0.224	2	127.1525	0.224	2	125.9700	2.159	6	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	126.4030	0.000	1	126.4030	0.000	1	126.6300	0.103	2	125.9700	2.159	6	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	126.8570	0.000	1	126.8570	0.000	1	126.6300	0.103	2	125.9700	2.159	6	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1275	0.114	2	124.1275	0.013	2	124.1275	0.013	2	125.9700	2.159	6	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	124.3695	0.214	2	124.3695	0.046	2	124.3695	0.046	2	125.7704	2.478	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N){1|C<2>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	127.4475	0.103	2	127.4475	0.011	2	126.7043	1.662	3	125.7704	2.478	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	125.2180	0.000	1	125.2180	0.000	1	126.7043	1.662	3	125.7704	2.478	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6]){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	126.9860	0.000	1	126.9860	0.000	1	126.9860	0.000	1	126.7533	0.116	3	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	126.9110	0.000	1	126.9110	0.000	1	126.6370	0.150	2	126.7533	0.116	3	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	4:3:3:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	126.3630	0.000	1	126.3630	0.000	1	126.6370	0.150	2	126.7533	0.116	3	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:2:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd)	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,3|C<3>}	122.8763	0.251	3	122.4686	0.600	5	122.4686	0.600	5	122.4686	0.600	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:2:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd)	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[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,3|C<3>}	121.8570	1.013	2	122.4686	0.600	5	122.4686	0.600	5	122.4686	0.600	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:N[6a]-2:C[6]-2:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.7043	1.897	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:N[6a]-2:N[6]-2:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	123.5410	0.000	1	123.5410	0.000	1	123.5410	0.000	1	121.7043	1.897	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:O[6]-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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	120.6460	0.027	2	120.6460	0.001	2	120.6460	0.001	2	121.7043	1.897	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]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[6,6a](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>}	121.3285	0.456	2	121.3285	0.208	2	121.3285	0.208	2	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-2:N[6]-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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	121.0969	0.234	8	121.0969	0.055	8	121.1126	0.051	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-2:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	121.3540	0.000	1	121.1755	0.064	2	121.1126	0.051	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-2:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	120.9970	0.000	1	121.1755	0.064	2	121.1126	0.051	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:N[6a]-2:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]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[6,6a](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>}	122.1845	0.093	2	122.1510	0.006	6	122.1510	0.006	6	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:N[6a]-2:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]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[6,6a](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>}	122.0965	0.093	2	122.1510	0.006	6	122.1510	0.006	6	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:N[6a]-2:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]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[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	122.1720	0.075	2	122.1510	0.006	6	122.1510	0.006	6	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	122.1800	0.000	1	122.2570	0.012	2	122.5542	0.097	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	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>}	122.3340	0.000	1	122.2570	0.012	2	122.5542	0.097	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	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>}	122.6285	0.302	8	122.6285	0.091	8	122.5542	0.097	10	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	121.5770	0.700	2	121.5770	0.490	2	122.1747	0.363	7	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	122.3765	0.736	2	122.4850	0.196	4	122.1747	0.363	7	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	122.5935	0.005	2	122.4850	0.196	4	122.1747	0.363	7	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:2:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	122.1290	0.000	1	122.1290	0.000	1	122.1747	0.363	7	121.9273	0.464	35	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-2:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,3|H<1>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.7766	0.056	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:O[6]-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[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.7766	0.056	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6,6a]-3:N[6a]-2:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	121.7766	0.056	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[6a,6a])(N[6]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	121.6715	0.375	2	121.6715	0.141	2	121.6715	0.141	2	121.7766	0.056	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[5a,6]-3:C[6,6a]-3:C[6a]-3:	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[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	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[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6,6a]-3:C[6a]-3:	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.6950	7.024	2	122.6950	49.342	2	122.6950	49.342	2	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]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>,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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,3|H<1>}	121.8900	0.000	1	121.8900	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]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>,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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,3|H<1>}	121.3880	0.000	1	121.3880	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	118.5550	0.000	1	118.5550	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.7140	0.000	1	123.7140	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	123.9460	0.000	1	123.9460	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	123.4570	0.000	1	123.4570	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|H<1>}	122.0990	0.000	1	122.0990	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,2|H<1>}	123.6630	0.000	1	123.6630	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.9370	0.000	1	122.9370	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,2|H<1>}	121.1720	0.000	1	121.1720	0.000	1	122.2821	2.738	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr){2|C<3>,2|C<4>,3|H<1>}	121.7585	0.118	2	121.7585	0.014	2	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh){1|C<4>,3|C<3>,3|H<1>}	122.0680	0.000	1	121.9205	0.044	2	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh){2|C<3>,2|C<4>,3|H<1>}	121.7730	0.000	1	121.9205	0.044	2	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zr)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zr){2|C<3>,2|C<4>,3|H<1>}	122.3410	0.000	1	122.3410	0.000	1	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){2|C<3>,3|H<1>}	121.9077	0.267	3	121.9077	0.071	3	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	121.3030	0.000	1	121.3030	0.000	1	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|O<2>,2|C<3>,2|H<1>}	123.3960	0.000	1	123.3960	0.000	1	122.0121	0.323	10	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	124.1000	0.000	1	124.1000	0.000	1	123.8810	0.344	7	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,3|C<3>}	123.2490	0.016	2	123.2490	0.000	2	123.8810	0.344	7	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|I<1>,3|C<3>}	123.3030	0.000	1	123.3030	0.000	1	123.8810	0.344	7	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	124.4220	0.054	3	124.4220	0.003	3	123.8810	0.344	7	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Cu)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Cu){1|H<1>,4|C<3>}	123.3670	0.000	1	123.3670	0.000	1	123.0112	0.055	5	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ru)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ru){1|H<1>,4|C<3>}	123.0345	0.100	2	123.0345	0.010	2	123.0112	0.055	5	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn){1|H<1>,4|C<3>}	122.8270	0.000	1	122.8100	0.001	2	123.0112	0.055	5	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn){1|H<1>,4|C<3>}	122.7930	0.000	1	122.8100	0.001	2	123.0112	0.055	5	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	122.1430	0.000	1	122.1430	0.000	1	122.1430	0.000	1	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	124.3450	0.000	1	124.3450	0.000	1	124.3450	0.000	1	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	124.4377	0.093	4	124.4377	0.009	4	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	124.8515	0.227	2	124.7480	0.058	3	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	124.5410	0.000	1	124.7480	0.058	3	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl){1|C<4>,1|H<1>,3|C<3>}	124.2270	0.000	1	124.2270	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>}	123.4950	0.000	1	123.4950	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|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[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	125.6230	0.000	1	125.6230	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	123.9000	0.000	1	123.9000	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	124.7120	0.000	1	124.7120	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	125.8830	0.417	9	125.8830	0.174	9	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	124.7160	0.000	1	124.7160	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){1|Cl<1>,1|H<1>,2|C<3>}	123.7660	0.000	1	123.7660	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	125.3180	0.000	1	125.3180	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	125.4930	0.000	1	125.4930	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	121.9960	0.000	2	121.9960	0.000	2	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|H<1>,1|W<6>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|W<6>,2|C<3>,2|H<1>}	122.8610	0.000	1	122.8610	0.000	1	124.7516	1.385	28	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	125.5320	0.000	1	125.5320	0.000	1	125.5320	0.000	1	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]N[6a])(N[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]N[6])(N[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	123.6449	3.164	67	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	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[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH)	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[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH){1|S<2>,2|C<4>,4|C<3>}	123.9520	0.000	2	123.9520	0.000	2	123.9520	0.000	2	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	122.7005	0.320	2	122.7005	0.103	2	122.6255	0.043	4	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	122.5980	0.000	1	122.5980	0.000	1	122.6255	0.043	4	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	122.5030	0.000	1	122.5030	0.000	1	122.6255	0.043	4	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	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[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	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[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	123.2920	0.000	1	123.2920	0.000	1	123.8780	0.687	2	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	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[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	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[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	124.4640	0.000	1	124.4640	0.000	1	123.8780	0.687	2	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	122.5260	0.000	1	122.5260	0.000	1	123.2545	1.061	2	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	123.9830	0.000	1	123.9830	0.000	1	123.2545	1.061	2	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	122.0440	0.000	1	122.0440	0.000	1	122.0440	0.000	1	123.1559	0.657	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	123.8307	1.108	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	124.0170	0.000	1	124.0170	0.000	1	124.2640	0.535	3	123.8307	1.108	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.0870	0.000	1	125.0870	0.000	1	124.2640	0.535	3	123.8307	1.108	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	123.6880	0.000	1	123.6880	0.000	1	124.2640	0.535	3	123.8307	1.108	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]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[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.9975	0.148	2	122.9975	0.022	2	122.9975	0.022	2	123.3320	0.171	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	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[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]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[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	123.3320	0.171	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	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[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	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[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	123.8140	0.000	1	123.8140	0.000	1	123.8140	0.000	1	123.3320	0.171	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	120.8510	0.000	1	120.8510	0.000	1	122.3955	0.343	15	122.3955	0.343	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.8775	0.145	2	121.8775	0.021	2	122.3955	0.343	15	122.3955	0.343	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	122.7305	0.293	8	122.6863	0.093	10	122.3955	0.343	15	122.3955	0.343	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	122.5095	0.395	2	122.6863	0.093	10	122.3955	0.343	15	122.3955	0.343	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Ni<6>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]NiH){1|C<4>,2|C<3>,2|H<1>}	122.2315	0.350	2	122.2315	0.123	2	122.3955	0.343	15	122.3955	0.343	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	123.5110	0.000	1	123.5110	0.000	1	123.5110	0.000	1	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6,6a]N[6a]C[6]){1|C<4>,3|H<1>,6|C<3>}	125.2441	0.217	8	125.2441	0.047	8	125.2441	0.047	8	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	123.6635	0.773	2	123.6635	0.597	2	123.5809	0.177	7	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	123.5478	0.334	5	123.5478	0.112	5	123.5809	0.177	7	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H){2|C<3>,3|H<1>,4|C<4>}	122.3540	0.354	2	122.3540	0.125	2	122.3540	0.125	2	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	122.3090	0.057	2	122.3090	0.003	2	122.5232	0.069	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	122.7995	0.107	2	122.6660	0.059	3	122.5232	0.069	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	122.3990	0.000	1	122.6660	0.059	3	122.5232	0.069	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<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|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	123.7217	0.404	3	123.7217	0.163	3	123.7217	0.163	3	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,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]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.0950	0.000	1	124.0950	0.000	1	124.0950	0.000	1	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	123.4670	0.000	1	123.4670	0.000	1	123.4670	0.000	1	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	124.0760	0.038	2	124.0760	0.001	2	124.0760	0.001	2	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.4480	0.240	2	122.4480	0.058	2	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	122.5730	0.000	1	122.5730	0.000	1	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	123.5290	0.000	1	123.5290	0.000	1	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,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|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	124.1770	0.000	1	124.1770	0.000	1	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	122.9050	0.000	1	122.9050	0.000	1	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	122.1337	0.268	3	122.1337	0.072	3	122.7201	0.527	9	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	123.7120	0.000	1	123.7120	0.000	1	123.7120	0.000	1	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	123.4830	0.000	1	123.3822	0.029	4	123.3440	0.029	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	123.3487	0.191	3	123.3822	0.029	4	123.3440	0.029	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	123.1910	0.000	1	123.1910	0.000	1	123.3440	0.029	5	123.5477	1.021	45	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6]){1|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.4840	0.000	1	123.4840	0.000	1	123.4840	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6]){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	123.6170	0.000	1	123.6170	0.000	1	123.6170	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	123.3420	0.000	1	123.3420	0.000	1	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	122.8680	0.000	1	122.8680	0.000	1	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.8280	0.277	2	123.8280	0.077	2	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.7330	0.000	1	123.7330	0.000	1	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	123.6525	0.049	2	123.6668	0.022	5	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.6635	0.291	2	123.6668	0.022	5	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	123.7020	0.000	1	123.6668	0.022	5	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]MoH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]MoH){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]MoH){1|C<4>,2|C<3>,2|H<1>}	123.7940	0.000	1	123.7940	0.000	1	123.6115	0.095	11	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){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]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	123.6270	0.000	1	123.6270	0.000	1	123.6270	0.000	1	123.5413	0.109	17	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.5040	0.000	1	123.8740	0.331	3	123.8740	0.331	3	123.7130	0.185	7	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[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[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	124.0590	0.676	2	123.8740	0.331	3	123.8740	0.331	3	123.7130	0.185	7	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6]){1|C<4>,5|C<3>,6|H<1>}	123.5923	0.323	4	123.5923	0.104	4	123.5923	0.104	4	123.7130	0.185	7	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:2:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	122.0430	0.095	2	122.0430	0.009	2	122.0430	0.009	2	122.0430	0.009	2	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C){4|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	116.6540	0.000	1	116.6540	0.000	1	116.6540	0.000	1	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,4|C<3>}	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	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[6,6a](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>}	121.6285	0.186	2	121.6285	0.035	2	121.6285	0.035	2	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	126.6060	0.000	1	126.6060	0.000	1	126.6060	0.000	1	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	124.7210	1.522	2	124.7210	2.316	2	124.7210	2.316	2	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	122.2895	0.631	2	122.2895	0.399	2	122.2895	0.399	2	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	121.5890	0.000	1	121.5890	0.000	1	122.1260	0.577	2	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	122.6630	0.000	1	122.6630	0.000	1	122.1260	0.577	2	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,3|C<3>}	120.9560	0.074	2	120.9560	0.005	2	121.2722	0.138	4	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	121.6520	0.000	1	121.6520	0.000	1	121.2722	0.138	4	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.5250	0.000	1	121.5250	0.000	1	121.2722	0.138	4	121.7546	7.210	15	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:C[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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.1318	0.163	5	124.1318	0.026	5	124.1318	0.026	5	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<1>,6|C<3>}	123.7933	0.389	3	123.7933	0.151	3	123.7933	0.151	3	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(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]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.7410	0.000	1	122.7410	0.000	1	122.4025	0.229	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	122.0640	0.000	1	122.0640	0.000	1	122.4025	0.229	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C){3|C<3>}	122.2150	0.000	1	122.2150	0.000	1	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.9530	0.139	2	121.9530	0.019	2	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.7855	0.291	2	122.7855	0.084	2	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.6438	0.313	13	122.3790	0.314	21	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.9555	0.837	2	122.3790	0.314	21	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|N<2>}	121.6010	0.182	2	122.3790	0.314	21	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,3|C<3>}	121.6495	0.245	2	122.3790	0.314	21	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.5890	0.822	2	122.3790	0.314	21	122.3712	0.284	26	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	123.6070	0.000	1	123.6070	0.000	1	122.9335	0.907	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	122.2600	0.000	1	122.2600	0.000	1	122.9335	0.907	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:C[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	123.6230	0.000	1	123.6230	0.000	1	123.7278	0.042	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:C[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	123.4940	0.000	1	123.7100	0.093	2	123.7278	0.042	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:C[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	123.9260	0.000	1	123.7100	0.093	2	123.7278	0.042	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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:C[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	123.8680	0.000	1	123.8680	0.000	1	123.7278	0.042	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	122.8890	0.000	1	122.8890	0.000	1	122.5730	0.094	3	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:N[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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	122.4150	0.198	2	122.4150	0.039	2	122.5730	0.094	3	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	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[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	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[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	122.7910	0.458	2	122.7910	0.210	2	122.7910	0.210	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>,2|F<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	125.3130	0.000	1	125.3130	0.000	1	125.5836	0.420	7	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	124.7870	0.190	2	125.5312	0.752	4	125.5836	0.420	7	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	126.2755	0.062	2	125.5312	0.752	4	125.5836	0.420	7	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	126.0070	0.000	1	126.0070	0.000	1	125.5836	0.420	7	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	125.6400	0.000	1	125.6400	0.000	1	125.5836	0.420	7	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|N<2>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	124.0430	0.000	1	124.0430	0.000	1	123.6564	0.176	22	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	123.9922	0.362	6	123.9922	0.131	6	123.6564	0.176	22	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	123.4757	0.365	14	123.4757	0.133	14	123.6564	0.176	22	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	123.7840	0.000	1	123.7840	0.000	1	123.6564	0.176	22	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,4|C<3>}	124.2960	0.000	1	124.2960	0.000	1	124.2960	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Rh<4>,1|H<1>,5|C<3>}	122.8550	0.000	1	122.8550	0.000	1	123.4490	0.706	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	124.0430	0.000	1	124.0430	0.000	1	123.4490	0.706	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	122.9600	0.000	2	122.9600	0.000	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	122.6010	0.000	1	122.6010	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	122.3780	0.000	2	122.3780	0.000	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Cu<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	124.4710	0.000	1	124.4710	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|C<3>,2|H<1>}	124.4145	0.152	2	123.6997	1.545	3	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<6>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	122.2700	0.000	1	123.6997	1.545	3	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	122.7603	0.141	3	122.7603	0.020	3	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ir<7>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	123.1130	0.000	1	123.1130	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	122.0490	0.141	2	122.5908	0.505	6	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	122.9295	0.411	2	122.5908	0.505	6	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|C<3>,2|H<1>}	122.7940	1.199	2	122.5908	0.505	6	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	124.2950	0.262	2	124.2950	0.068	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Pd<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	124.0190	0.540	2	124.0190	0.292	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	124.1560	0.000	1	124.1560	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	122.7930	0.000	1	122.7930	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	119.1040	0.000	1	119.1040	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Pt<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,2|C<3>,2|H<1>}	123.2290	0.000	1	123.2290	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<5>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	122.9950	0.000	1	122.9950	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5]){1|Rh<6>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Rh<6>,2|C<3>,2|H<1>}	122.5780	0.000	1	122.5780	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	122.9030	0.400	4	122.9030	0.160	4	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	121.5500	0.000	1	122.6890	2.595	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	123.8280	0.000	1	122.6890	2.595	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<9>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,2|H<1>}	123.9420	0.000	1	123.9420	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	122.6607	0.687	6	122.6607	0.472	6	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	125.1040	0.000	1	125.1040	0.000	1	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	123.1640	0.503	2	123.1640	0.253	2	123.0133	1.045	45	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	124.1350	0.000	1	124.1350	0.000	1	123.2777	0.683	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	123.7960	0.000	1	123.7960	0.000	1	123.2777	0.683	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	122.5900	0.314	2	122.5900	0.099	2	123.2777	0.683	4	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H){1|Ru<7>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H){1|Ru<7>,1|C<4>,1|H<1>,4|C<3>}	124.5560	0.000	1	124.5560	0.000	1	124.5560	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C){1|C<4>,4|C<3>}	125.7050	0.000	1	125.7050	0.000	1	125.7050	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[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]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	126.8130	0.000	1	126.8130	0.000	1	126.0975	1.024	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	125.3820	0.000	1	125.3820	0.000	1	126.0975	1.024	2	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	123.2796	1.263	136	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.8205	0.039	2	123.8205	0.002	2	123.8205	0.002	2	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	125.1240	0.000	1	125.1240	0.000	1	125.1240	0.000	1	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	125.4195	0.161	2	125.4195	0.026	2	125.0736	0.367	12	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	123.9790	0.000	1	123.9790	0.000	1	125.0736	0.367	12	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	124.2190	0.000	1	124.2190	0.000	1	125.0736	0.367	12	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	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[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	125.2308	0.484	8	125.2308	0.235	8	125.0736	0.367	12	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	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[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	123.8162	0.566	6	123.8162	0.320	6	123.8059	0.209	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	124.0710	0.000	1	124.0710	0.000	1	123.8059	0.209	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	123.6970	0.295	3	123.6970	0.087	3	123.8059	0.209	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){3|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	123.4575	0.049	2	123.4575	0.002	2	123.2362	0.089	4	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	123.0150	0.263	2	123.0150	0.069	2	123.2362	0.089	4	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	123.5085	0.380	2	123.5085	0.144	2	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	123.4480	0.000	1	123.4480	0.000	1	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	123.9130	0.000	1	123.9130	0.000	1	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	121.9100	0.000	1	121.9100	0.000	1	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	123.1190	0.098	2	123.1190	0.010	2	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(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[6,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	122.2640	0.187	2	122.2640	0.035	2	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,5|C<3>}	122.6850	0.000	1	122.6850	0.000	1	122.9739	0.459	10	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|H<1>,3|C<3>}	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	120.3320	0.191	2	120.3320	0.036	2	120.3320	0.036	2	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	123.3105	0.639	2	122.7221	0.299	7	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	122.4868	0.324	5	122.7221	0.299	7	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	123.2550	0.000	1	123.2550	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(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[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	123.4070	0.245	2	123.4070	0.060	2	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	123.0190	0.159	4	123.0190	0.025	4	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	123.3370	0.000	1	123.3370	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	123.9160	0.000	1	123.9160	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	123.5130	0.000	1	123.5130	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	124.6320	0.000	1	124.6320	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	123.5730	0.000	1	123.5730	0.000	1	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	123.5830	0.092	2	123.5830	0.008	2	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	122.4200	0.246	2	122.2517	0.115	3	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	121.9150	0.000	1	122.2517	0.115	3	123.0872	0.413	24	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	124.2835	0.023	2	124.2835	0.001	2	124.2835	0.001	2	123.5193	1.285	70	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-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[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]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[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	124.2450	0.000	1	124.2450	0.000	1	124.2450	0.000	1	123.4925	0.409	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	123.4090	0.000	1	123.5150	0.022	2	123.5150	0.022	2	123.4925	0.409	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(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[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	123.6210	0.000	1	123.5150	0.022	2	123.5150	0.022	2	123.4925	0.409	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]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[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.6950	0.000	1	122.6950	0.000	1	122.6950	0.000	1	123.4925	0.409	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-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[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]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[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	122.4283	0.260	4	122.4283	0.067	4	122.4283	0.067	4	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6a]C[6,6a]N[6a])(N[6a]C[6a]){2|H<1>,2|N<3>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[5,6,6]C[6,6]N[5,6]N[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	124.1290	0.000	1	124.1290	0.000	1	125.2044	0.620	5	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	125.7427	0.288	3	125.4733	0.345	4	125.2044	0.620	5	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	124.6650	0.000	1	125.4733	0.345	4	125.2044	0.620	5	123.8833	2.035	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:2:	3:4:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,4|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	120.3393	0.065	3	120.3393	0.004	3	120.3393	0.004	3	120.3393	0.004	3	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cr)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|Cr<9>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(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>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	123.6173	0.367	3	123.6173	0.134	3	123.6173	0.134	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	124.0660	0.000	1	124.0660	0.000	1	123.2197	0.291	6	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	123.6200	0.000	1	123.4305	0.072	2	123.2197	0.291	6	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	123.2410	0.000	1	123.4305	0.072	2	123.2197	0.291	6	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	122.7970	0.147	3	122.7970	0.022	3	123.2197	0.291	6	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	122.6990	0.000	1	122.6990	0.000	1	123.5693	0.574	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.0045	0.108	2	124.0045	0.012	2	123.5693	0.574	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.6493	0.238	3	122.6493	0.056	3	122.6493	0.056	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	123.2590	0.000	1	123.2590	0.000	1	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	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[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	122.6520	0.000	1	122.6520	0.000	1	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	122.7700	0.000	1	122.7700	0.000	1	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	122.5970	0.000	1	122.4220	0.061	2	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	122.2470	0.000	1	122.4220	0.061	2	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	122.7650	0.000	1	122.7650	0.000	1	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.3220	0.000	1	123.3220	0.000	1	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	122.6855	0.364	2	122.6855	0.133	2	122.7759	0.126	9	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	123.6010	0.000	1	123.6010	0.000	1	123.9563	0.097	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,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,6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	124.1340	0.074	2	124.1340	0.005	2	123.9563	0.097	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	123.0597	0.376	3	123.0597	0.141	3	123.0597	0.141	3	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[5a,6,6a]N[6a])(C[6,6a]N[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	125.3860	1.232	2	125.3860	1.517	2	126.4098	1.997	4	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	127.8090	0.000	1	127.4335	0.282	2	126.4098	1.997	4	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	127.0580	0.000	1	127.4335	0.282	2	126.4098	1.997	4	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	126.7195	0.094	2	126.7195	0.009	2	126.7195	0.009	2	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	125.2565	0.829	2	125.2565	0.688	2	125.2565	0.688	2	123.8531	2.080	40	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.7990	0.000	1	122.7990	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	123.0680	0.000	1	123.0680	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	123.1830	0.000	1	123.1830	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	123.3515	0.081	2	123.0280	0.317	3	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	122.3810	0.000	1	123.0280	0.317	3	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	121.9580	0.000	1	121.9580	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	122.6400	0.000	1	122.6400	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.2070	0.000	1	122.2070	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.6008	0.268	4	122.6008	0.072	4	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	124.6460	0.000	1	124.6460	0.000	1	122.8563	0.449	14	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	121.4805	0.235	2	121.4805	0.055	2	121.4805	0.055	2	122.6843	0.613	16	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:4:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	119.8423	0.344	3	119.8423	0.118	3	121.5975	1.297	11	121.5975	1.297	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:4:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|Mo<9>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]MoH)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	122.2558	0.058	8	122.2558	0.003	8	121.5975	1.297	11	121.5975	1.297	11	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.5720	0.000	1	122.5720	0.000	1	123.1812	1.300	5	123.1812	1.300	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.7330	0.452	3	122.7330	0.204	3	123.1812	1.300	5	123.1812	1.300	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	125.1350	0.000	1	125.1350	0.000	1	123.1812	1.300	5	123.1812	1.300	5	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.1480	0.000	1	123.1480	0.000	1	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	122.4850	0.000	1	122.5800	0.013	5	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,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|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	122.7140	0.000	1	122.5800	0.013	5	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	122.4550	0.000	1	122.5800	0.013	5	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.6230	0.085	2	122.5800	0.013	5	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	122.9130	0.000	1	122.9130	0.000	1	122.7087	0.062	7	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	124.5015	0.200	2	124.5015	0.040	2	124.5015	0.040	2	123.0776	0.610	10	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O){1|H<1>,2|C<3>,4|C<4>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	123.2940	0.000	1	123.2940	0.000	1	123.2940	0.000	1	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	123.4235	0.025	2	123.4235	0.001	2	123.4235	0.001	2	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.6660	0.310	2	123.6660	0.096	2	123.1815	0.346	4	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	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[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.6970	0.062	2	122.6970	0.004	2	123.1815	0.346	4	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	124.1343	0.963	6	124.1343	0.927	6	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,5|C<3>}	123.8530	0.178	2	123.8530	0.032	2	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<4>,2|H<1>,3|C<3>}	122.8070	0.494	3	122.8070	0.244	3	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	123.6146	0.973	7	123.6146	0.946	7	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.2880	0.334	6	123.2880	0.112	6	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|Br<1>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.7870	0.642	2	123.7870	0.412	2	123.5976	0.648	26	123.5274	0.560	33	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,6|H<1>}	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	4:3:3:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	124.2265	0.088	2	124.2265	0.008	2	124.2265	0.008	2	124.1315	0.025	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6,6a]	N[6a]	C[6,6a]	4:3:2:	3:3:	4:3:3:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	124.0365	0.173	2	124.0365	0.030	2	124.0365	0.030	2	124.1315	0.025	4	123.2309	2.152	647	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	119.6420	0.000	1	120.0498	0.325	4	119.9745	0.165	10	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	120.1857	0.614	3	120.0498	0.325	4	119.9745	0.165	10	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<4>,4|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	C[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	119.9243	0.306	6	119.9243	0.094	6	119.9745	0.165	10	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[3x6a](C[6a,6a]C[6,6a]C[6a])(C[6a,6a]N[6a]O[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6,6a]C[6a])(C[6a,6a]N[6a]O[6a])(C[6a,6a]C[6a]2){2|H<1>,5|C<3>}	126.5170	0.000	1	126.5170	0.000	1	126.5170	0.000	1	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])(O[6a]C[6a,6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]O[6a]){2|H<1>,5|C<3>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]N[6a]O[6a])(C[6a,6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(O[6a]C[6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2){6|C<3>}	C[3x6a](C[6a,6a]N[6a]O[6a])(C[6a,6a]C[6a]2)2{2|H<1>,5|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:2:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]N[6a]S[6a])(C[6a,6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2){6|C<3>}	C[3x6a](C[6a,6a]N[6a]S[6a])(C[6a,6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	126.4680	0.000	1	126.4680	0.000	1	126.4680	0.000	1	121.3864	6.295	14	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:2:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a])	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]){5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[6a,6a]2){2|N<2>,5|C<3>}	121.2185	0.110	2	121.2185	0.012	2	121.2185	0.012	2	121.7930	0.996	3	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a])	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	121.7930	0.996	3	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[3x6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	122.9325	0.043	2	122.9325	0.002	2	122.9325	0.002	2	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|F<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H){5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[3x6a]C[6a,6a]2){1|H<1>,1|N<2>,6|C<3>}	122.5600	0.000	1	122.5600	0.000	1	122.1436	1.680	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[3x6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){4|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[3x6a]2){1|N<2>,6|C<3>}	120.8475	0.636	2	120.8475	0.404	2	122.1436	1.680	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[3x6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[3x6a]C[3x6a]2){1|N<2>,6|C<3>}	123.2315	0.646	2	123.2315	0.417	2	122.1436	1.680	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6,6a,6a]-3:	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H){5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2){1|H<1>,1|N<2>,6|C<3>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]B[6a]){1|Ir<8>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir){1|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|B<3>,3|C<3>,4|H<1>}	118.7620	0.113	2	118.7620	0.013	2	118.7620	0.013	2	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|Se<2>,1|O<2>,6|C<3>}	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[3x6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a]){1|O<2>,1|S<2>,6|C<3>}	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.2820	0.358	2	121.2820	0.128	2	121.9427	1.373	3	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]O[6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[3x6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	123.2640	0.000	1	123.2640	0.000	1	121.9427	1.373	3	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){7|C<3>}	120.8627	0.496	6	120.9042	0.223	12	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){7|C<3>}	120.9457	0.490	6	120.9042	0.223	12	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){7|C<3>}	120.9275	0.047	2	120.9275	0.002	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|Br<1>,2|N<2>,3|C<3>}	120.9030	0.052	2	120.9030	0.003	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){1|Br<1>,1|H<1>,2|N<2>,3|C<3>}	120.6970	0.291	4	120.6970	0.085	4	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|C<4>,5|C<3>}	121.4485	0.206	2	121.4485	0.042	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|Cl<1>,2|N<2>,3|C<3>}	121.1360	0.013	2	121.1360	0.000	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,2|N<2>,3|C<3>}	120.4450	0.173	2	121.3151	0.170	14	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,5|C<3>}	121.4601	0.194	12	121.3151	0.170	14	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){1|Br<1>,1|H<1>,2|N<2>,3|C<3>}	120.7287	0.032	3	120.3982	0.111	20	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(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,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,2|N<2>,3|C<3>}	120.3399	0.328	17	120.3982	0.111	20	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,5|C<3>}	120.6410	0.493	44	120.6410	0.243	44	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(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,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,2|N<2>,3|C<3>}	121.8335	0.047	2	121.8335	0.002	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Sn)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]Sn)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Sn<4>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){2|Sn<4>,5|C<3>}	120.2885	1.385	2	120.2885	1.919	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[3x6a]C[6a,6a]2){1|N<2>,2|H<1>,4|C<3>}	122.0150	0.129	2	122.0150	0.017	2	120.7900	0.322	108	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2){3|H<1>,4|C<3>}	122.3130	0.000	1	122.3130	0.000	1	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.1330	0.000	1	123.1330	0.000	1	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.0340	0.000	1	122.9100	0.031	2	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[5,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a]){3|H<1>,4|C<3>}	122.7860	0.000	1	122.9100	0.031	2	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	120.4570	0.000	1	120.6323	0.042	3	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	120.5840	0.000	1	120.6323	0.042	3	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,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[3x6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,2|N<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	120.8560	0.000	1	120.6323	0.042	3	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(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,6a]C[3x6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){3|C<3>,5|H<1>}	120.7583	0.218	4	120.7583	0.048	4	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]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,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2){2|H<1>,5|C<3>}	121.0135	0.800	2	121.0135	0.640	2	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(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,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]C[6a]2){2|H<1>,2|N<3>,3|C<3>}	122.6820	0.000	1	122.6820	0.000	1	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]C[6a]N[6a]){1|O<2>,2|H<1>,5|C<3>}	123.1500	0.000	1	123.1500	0.000	1	121.6037	1.221	15	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2){3|H<1>,5|C<3>}	124.9460	0.236	2	124.9460	0.056	2	123.6230	1.651	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H){4|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a,6a]N[6a]2){2|H<1>,5|C<3>}	122.7040	0.840	2	122.7040	0.706	2	123.6230	1.651	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	122.8150	0.000	1	122.8150	0.000	1	123.6230	1.651	5	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])2{1|H<1>,2|N<2>,4|C<3>}	123.5045	0.057	2	123.5045	0.003	2	123.5045	0.003	2	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])2{1|H<1>,2|N<2>,4|C<3>}	122.8105	0.421	2	122.8105	0.177	2	123.1229	0.314	7	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	122.8525	0.192	2	122.8525	0.037	2	123.1229	0.314	7	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	123.1980	0.000	1	123.5113	0.437	3	123.1229	0.314	7	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[3x6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[3x6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[3x6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2){7|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]O[6a])(C[6a,6a]C[6a]2){2|H<1>,5|C<3>}	123.6680	0.853	2	123.5113	0.437	3	123.1229	0.314	7	121.1807	1.231	153	121.2084	1.613	170	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	C[6a,6a](C[6,6a,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	122.5913	2.223	6	122.5913	2.223	6	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,3|C<3>,3|H<1>}	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	122.5913	2.223	6	122.5913	2.223	6	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|N<2>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.5913	2.223	6	122.5913	2.223	6	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a,6a]N[6])	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	124.1070	0.000	1	124.1070	0.000	1	123.4370	0.362	3	122.5913	2.223	6	122.5913	2.223	6	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]){1|N<3>,6|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6]){1|Os<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	123.1020	0.226	2	123.1020	0.051	2	123.4370	0.362	3	122.5913	2.223	6	122.5913	2.223	6	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:2:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	122.5080	0.000	1	122.5080	0.000	1	122.5080	0.000	1	122.5080	0.000	1	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	122.8473	0.322	4	122.8473	0.104	4	122.8473	0.104	4	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	121.2710	0.000	1	121.2710	0.000	1	120.7600	0.488	3	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	120.5045	0.764	2	120.5045	0.584	2	120.7600	0.488	3	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	122.3860	0.519	2	122.3860	0.269	2	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	122.0880	0.023	2	122.0880	0.001	2	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	122.1653	0.128	4	122.2495	0.027	10	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	122.0150	0.000	1	122.2495	0.027	10	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	122.3638	0.102	5	122.2495	0.027	10	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2{4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2{4|C<3>}	121.5943	0.571	12	121.5943	0.326	12	121.9452	0.277	26	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	121.2458	0.412	4	121.2458	0.169	4	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	121.3580	0.000	1	121.3580	0.000	1	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	120.7428	0.218	5	120.7428	0.047	5	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	121.3462	0.329	4	121.4962	0.159	6	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	121.7960	0.450	2	121.4962	0.159	6	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	120.9850	0.000	1	120.9850	0.000	1	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	121.6000	0.000	1	121.6000	0.000	1	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	121.7465	0.247	2	121.7465	0.061	2	121.2555	0.205	20	121.6859	0.491	53	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	122.1395	0.041	2	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	121.9960	0.000	1	121.9960	0.000	1	121.9960	0.000	1	122.1395	0.041	2	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|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[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	120.4950	0.000	1	120.4590	0.266	3	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|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[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>}	119.9260	0.000	1	120.4590	0.266	3	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|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[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	120.9560	0.000	1	120.4590	0.266	3	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	120.8820	0.000	1	120.8176	0.152	5	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	120.5903	0.185	3	120.8176	0.152	5	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){4|C<3>}	121.4350	0.000	1	120.8176	0.152	5	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	120.9440	0.025	2	120.9440	0.001	2	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	120.8350	0.116	2	120.8350	0.013	2	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>}	122.8450	0.000	1	122.7258	0.192	10	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	122.7146	0.612	5	122.7258	0.192	10	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	122.7493	0.316	3	122.7258	0.192	10	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){4|C<3>}	122.5920	0.000	1	122.7258	0.192	10	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	119.6770	0.000	1	119.6510	0.001	2	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	119.6250	0.000	1	119.6510	0.001	2	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	119.3480	0.165	3	119.3480	0.027	3	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	122.7890	0.264	3	122.7890	0.070	3	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	123.4685	0.388	2	123.5558	0.067	4	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	123.5450	0.000	1	123.5558	0.067	4	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	123.7410	0.000	1	123.5558	0.067	4	121.6534	2.037	34	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|C<4>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a]){1|S<2>,3|C<3>}	123.5415	0.647	2	123.5415	0.419	2	123.0577	0.454	4	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a]){1|S<2>,3|C<3>}	122.5740	0.088	2	122.5740	0.008	2	123.0577	0.454	4	121.8242	2.011	39	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[5,6a]C[5]){2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N){3|C<3>}	122.7070	0.000	1	122.7070	0.000	1	122.7070	0.000	1	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	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[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	123.2643	0.453	9	123.2643	0.206	9	123.2643	0.206	9	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	123.3940	0.000	1	123.3940	0.000	1	123.3216	0.003	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.2650	0.000	2	123.2650	0.000	2	123.3216	0.003	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>}	123.3420	0.000	2	123.3420	0.000	2	123.3216	0.003	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2){2|H<1>,6|C<3>}	123.4175	0.231	2	123.4175	0.053	2	123.5972	0.078	6	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2){2|H<1>,6|C<3>}	123.4555	0.152	2	123.4555	0.023	2	123.5972	0.078	6	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2){2|H<1>,6|C<3>}	123.9185	0.050	2	123.9185	0.003	2	123.5972	0.078	6	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	122.5986	0.513	9	122.5986	0.264	9	122.5986	0.264	9	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	121.8460	0.000	1	121.8460	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N){3|C<3>}	122.4220	0.000	1	122.4220	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	121.5040	0.000	2	121.5040	0.000	2	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	121.4130	0.000	1	121.4130	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,3|C<3>}	120.4910	0.000	2	120.4910	0.000	2	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|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[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.3175	0.446	2	122.3175	0.199	2	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.1717	0.130	3	122.1717	0.017	3	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5387	0.273	4	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.0520	0.000	1	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.0873	0.453	3	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5501	0.717	20	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.1870	0.000	1	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.7595	0.026	2	122.6509	0.390	31	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.7500	0.000	1	122.3773	0.140	19	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.2966	0.633	5	122.3773	0.140	19	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.5990	0.066	2	122.3773	0.140	19	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.3236	0.136	5	122.3773	0.140	19	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.3532	0.331	6	122.3773	0.140	19	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.8960	0.000	1	122.8960	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0380	0.000	1	122.0380	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|C<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,2|C<3>}	122.2380	0.000	1	122.2380	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	121.7120	0.000	1	121.7120	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,3|C<3>}	117.0130	0.000	1	117.0130	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	121.8350	0.000	1	121.8350	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	121.6490	0.000	1	121.6490	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.3330	0.000	1	122.4045	0.095	32	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.2295	0.605	2	122.4045	0.095	32	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.4099	0.311	26	122.4045	0.095	32	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.4983	0.163	3	122.4045	0.095	32	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.9973	0.064	4	122.6851	0.172	21	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.6377	0.187	3	122.6851	0.172	21	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.6061	0.470	14	122.6851	0.172	21	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>}	123.2640	0.000	1	123.2640	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.1840	0.000	1	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.4132	0.520	5	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.9020	0.000	1	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	123.6670	0.000	1	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	123.1815	0.213	2	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.4442	0.125	4	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.4998	0.837	6	122.5979	0.373	20	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.7935	0.006	2	122.9418	0.989	6	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5160	0.960	4	122.9418	0.989	6	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,3|C<3>}	124.1450	0.000	1	124.1450	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.5298	0.477	5	122.5298	0.228	5	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	122.1620	0.000	1	122.1620	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.6950	0.000	1	122.6950	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	121.6720	0.000	1	122.2353	0.147	9	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>}	122.3058	0.341	8	122.2353	0.147	9	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.3640	0.000	1	122.3640	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,2|C<3>}	122.7110	0.000	1	122.7110	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>}	120.1810	0.000	1	120.1810	0.000	1	122.4306	0.544	169	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	123.5100	0.000	1	123.5100	0.000	1	122.1570	1.717	4	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	123.0470	0.000	1	123.0470	0.000	1	122.1570	1.717	4	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	121.1140	0.000	1	121.1140	0.000	1	122.1570	1.717	4	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	120.9570	0.000	1	120.9570	0.000	1	122.1570	1.717	4	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	126.4920	0.000	1	126.4920	0.000	1	126.4920	0.000	1	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	126.3830	0.204	2	126.3830	0.041	2	126.1330	0.208	3	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(O[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	125.6330	0.000	1	125.6330	0.000	1	126.1330	0.208	3	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>}	125.5060	0.427	2	125.5060	0.182	2	125.5060	0.182	2	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6,6a]H){4|C<3>}	125.4640	0.105	3	125.4640	0.011	3	125.4640	0.011	3	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.3537	0.127	3	125.3537	0.016	3	125.2254	0.485	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	125.9780	0.000	1	125.9780	0.000	1	125.2254	0.485	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:O[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a]){5|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){3|C<3>}	124.0880	0.000	1	124.0880	0.000	1	125.2254	0.485	5	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.6640	0.000	1	124.6640	0.000	1	124.6060	0.007	2	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.5480	0.000	1	124.5480	0.000	1	124.6060	0.007	2	122.7410	1.149	222	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a]){2|H<1>,3|C<3>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2450	0.000	1	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8965	0.240	2	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	121.9535	0.375	2	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.3375	0.168	2	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9027	0.707	7	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.0930	0.522	2	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.6990	0.775	2	122.0846	0.314	18	122.0846	0.314	18	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.2415	0.006	2	122.2415	0.000	2	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.9590	0.000	1	122.2341	0.343	7	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5230	0.000	1	122.2341	0.343	7	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5370	0.098	4	122.2341	0.343	7	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0090	0.000	1	122.2341	0.343	7	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7680	0.049	2	121.7680	0.002	2	122.1507	0.242	11	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	122.1700	0.000	1	121.9714	0.027	5	121.9714	0.027	5	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9218	0.140	4	121.9714	0.027	5	121.9714	0.027	5	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	123.3485	0.368	2	123.2250	0.119	6	123.2250	0.119	6	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9030	0.000	1	123.2250	0.119	6	123.2250	0.119	6	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	123.4120	0.000	1	123.2250	0.119	6	123.2250	0.119	6	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[4,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[4,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1690	0.533	2	123.2250	0.119	6	123.2250	0.119	6	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|C<4>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	121.7700	0.000	1	121.6695	0.020	2	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	121.5690	0.000	1	121.6695	0.020	2	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	122.2940	0.000	1	122.2040	0.016	2	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	122.1140	0.000	1	122.2040	0.016	2	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.5580	0.000	1	122.0769	0.091	32	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.3150	0.165	2	122.0769	0.091	32	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0232	0.263	26	122.0769	0.091	32	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2237	0.533	3	122.0769	0.091	32	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6900	0.299	20	121.7043	0.079	24	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9165	0.050	2	121.7043	0.079	24	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6345	0.098	2	121.7043	0.079	24	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6630	0.000	1	121.6630	0.000	1	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.5960	0.000	1	121.8270	0.065	9	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8870	0.000	1	121.8270	0.065	9	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.9688	0.274	4	121.8270	0.065	9	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8460	0.000	1	121.8270	0.065	9	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6195	0.265	2	121.8270	0.065	9	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2818	0.350	4	122.2818	0.122	4	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	121.9230	0.420	2	122.0080	2.619	4	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.0930	2.766	2	122.0080	2.619	4	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	122.1683	0.267	4	122.1683	0.071	4	121.9396	0.206	82	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.6570	0.000	1	122.6186	0.850	7	122.6186	0.850	7	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.6122	1.010	6	122.6186	0.850	7	122.6186	0.850	7	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<2>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	120.7420	0.185	2	120.7420	0.034	2	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2370	0.000	1	121.4477	0.039	3	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.5530	0.110	2	121.4477	0.039	3	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.6274	0.241	8	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.5215	0.213	2	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Ni<6>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7540	0.055	2	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.1595	0.452	2	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9232	0.130	4	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.3345	0.053	2	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){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|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6810	0.000	1	121.3777	0.147	21	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5670	0.112	2	121.2970	0.103	4	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.0270	0.074	2	121.2970	0.103	4	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9235	0.090	2	120.8831	0.010	8	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	120.8697	0.109	6	120.8831	0.010	8	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	120.6135	1.280	11	120.6135	1.639	11	121.0971	0.525	49	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	120.7675	0.544	2	120.7675	0.296	2	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	120.9075	0.095	2	120.9075	0.009	2	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	121.2020	0.000	1	121.0987	0.012	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.9860	0.000	1	121.0987	0.012	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.1080	0.000	1	121.0987	0.012	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	121.5710	0.087	4	121.4430	0.090	8	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	121.3150	0.398	4	121.4430	0.090	8	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|C<4>,1|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	122.1830	0.000	1	122.1280	0.987	10	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	120.7755	0.504	2	122.1280	0.987	10	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|C<4>,1|F<1>,3|C<3>}	123.4440	0.000	1	122.1280	0.987	10	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|N<3>,3|C<3>}	123.0565	0.619	2	122.1280	0.987	10	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	121.9973	0.594	4	122.1280	0.987	10	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,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>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.6685	0.472	6	121.7943	0.088	22	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,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>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7770	0.000	1	121.7943	0.088	22	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6150	0.062	2	121.7943	0.088	22	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.6360	0.000	1	121.7943	0.088	22	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9017	0.194	12	121.7943	0.088	22	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.3698	0.871	4	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.6030	0.033	2	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.7095	0.300	4	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1540	0.000	1	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0240	0.184	2	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.7270	0.000	1	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3785	0.525	49	121.3968	0.270	63	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	121.3390	0.000	1	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.4143	0.096	3	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.6850	0.000	1	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	121.4310	0.000	1	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.5690	0.223	2	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.1065	0.346	2	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	121.5000	0.745	2	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9690	0.299	5	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4548	0.204	23	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.3270	0.000	1	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.6178	0.431	5	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3637	0.291	16	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3060	0.200	6	121.3886	0.088	68	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.1320	0.000	1	121.4787	0.100	15	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	121.5034	0.313	14	121.4787	0.100	15	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.9160	0.000	1	121.8740	0.001	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8640	0.000	1	121.8740	0.001	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8420	0.000	1	121.8740	0.001	3	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3990	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.8235	0.204	2	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	123.2270	0.214	4	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	121.5632	0.557	4	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.2775	0.175	2	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	122.3710	0.304	2	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.5113	0.588	36	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6220	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5740	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8160	0.183	5	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7110	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6890	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.7890	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2643	0.391	7	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.6990	0.000	1	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3536	0.507	458	121.3907	0.287	527	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	120.9454	0.252	8	120.9454	0.063	8	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	121.9145	0.174	8	121.9145	0.030	8	121.4140	0.274	739	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	121.9250	0.000	1	121.9250	0.000	1	121.4417	0.271	3	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|O<1>,4|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	121.2000	0.438	2	121.2000	0.192	2	121.4417	0.271	3	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,4|C<3>}	121.0510	0.000	1	121.5933	0.269	3	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.6450	0.000	1	121.5933	0.269	3	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.0840	0.000	1	121.5933	0.269	3	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>}	123.6510	0.000	1	123.6510	0.000	1	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	121.6050	0.000	1	121.6050	0.000	1	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6760	0.346	2	121.8012	0.090	4	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1340	0.000	1	121.8012	0.090	4	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7190	0.000	1	121.8012	0.090	4	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	122.5940	0.000	1	122.8340	0.029	4	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	122.9140	0.071	3	122.8340	0.029	4	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,1|O<1>,3|C<3>}	122.1740	0.000	1	122.1740	0.000	1	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7750	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	121.1830	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6070	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9140	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	122.3360	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	121.9670	0.000	1	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9163	0.440	4	121.9447	0.236	10	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	122.2900	0.194	2	122.2900	0.038	2	122.1068	0.372	26	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.1190	0.000	1	125.1190	0.000	1	125.1190	0.000	1	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	121.8430	0.000	1	121.8430	0.000	1	122.1993	0.478	3	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	122.3775	0.875	2	122.3775	0.765	2	122.1993	0.478	3	121.5129	0.380	950	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[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:N[6a]-2:	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]S[5])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,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[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>}	120.8740	1.505	3	120.8740	2.264	3	120.8740	2.264	3	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	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>}	121.7190	0.000	1	121.8225	0.021	2	121.8225	0.021	2	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	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>}	121.9260	0.000	1	121.8225	0.021	2	121.8225	0.021	2	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	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>}	121.8065	0.203	2	121.8065	0.041	2	121.8065	0.041	2	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	122.5150	0.197	6	122.5150	0.039	6	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	121.6570	0.000	1	121.7707	0.153	15	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.9575	0.054	2	121.7707	0.153	15	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(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])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	121.6632	0.423	10	121.7707	0.153	15	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	122.1780	0.049	2	121.7707	0.153	15	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|I<1>,5|C<3>}	121.6870	0.000	1	121.6870	0.000	1	121.9699	0.229	22	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	124.6415	0.090	2	124.8087	0.116	7	124.7959	0.101	8	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	124.8756	0.391	5	124.8087	0.116	7	124.7959	0.101	8	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	124.7060	0.000	1	124.7060	0.000	1	124.7959	0.101	8	122.5474	2.042	38	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.8115	0.298	2	122.8272	0.043	5	122.8582	0.040	6	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|Se<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	122.8377	0.203	3	122.8272	0.043	5	122.8582	0.040	6	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,2|C<3>,2|H<1>}	N[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0130	0.000	1	123.0130	0.000	1	122.8582	0.040	6	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.1490	0.000	1	123.1490	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]F)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]F){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|F<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	124.6670	0.000	1	124.6670	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4680	0.000	1	122.4680	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.8560	0.000	1	122.8560	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	123.9090	0.000	1	123.1483	1.194	7	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	123.8410	0.000	1	123.1483	1.194	7	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.9380	0.000	1	123.1483	1.194	7	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.4960	0.641	2	123.1483	1.194	7	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.6790	0.716	2	123.1483	1.194	7	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.5560	0.000	1	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1580	0.000	1	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.9060	0.000	1	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5093	0.218	3	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3590	0.000	1	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8910	0.000	1	123.5498	0.266	8	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	123.4460	0.000	1	123.4460	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.0230	1.072	2	123.0230	1.149	2	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.5260	0.000	1	122.8380	0.947	2	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1500	0.000	1	122.8380	0.947	2	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.4090	0.000	1	123.4090	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	124.0060	0.000	1	124.0060	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	122.3020	0.000	1	122.3020	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.9270	0.000	1	122.9270	0.000	1	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,2|C<3>,3|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.3960	0.000	1	123.6335	0.113	2	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]O){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.8710	0.000	1	123.6335	0.113	2	123.2885	0.591	30	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.8240	0.000	1	123.8240	0.000	1	123.8240	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.3320	0.000	1	123.3320	0.000	1	122.9542	0.139	5	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5000	0.000	1	122.8597	0.126	4	122.9542	0.139	5	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.7350	0.000	1	122.8597	0.126	4	122.9542	0.139	5	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8600	0.000	1	122.8597	0.126	4	122.9542	0.139	5	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|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[6a,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.3440	0.000	1	122.8597	0.126	4	122.9542	0.139	5	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	122.7310	0.000	1	122.7310	0.000	1	122.4604	0.242	12	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.4440	0.000	1	122.7250	0.158	2	122.4604	0.242	12	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0060	0.000	1	122.7250	0.158	2	122.4604	0.242	12	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5555	0.474	6	122.3716	0.277	9	122.4604	0.242	12	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0037	0.490	3	122.3716	0.277	9	122.4604	0.242	12	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:B[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]B[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	124.3740	0.000	1	124.5250	0.046	2	124.5250	0.046	2	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	124.6760	0.000	1	124.5250	0.046	2	124.5250	0.046	2	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.6965	0.513	2	123.6965	0.263	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.3250	0.000	1	123.3250	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.8020	0.000	1	122.8020	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	122.6520	0.000	1	122.8230	0.058	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.9940	0.000	1	122.8230	0.058	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.8260	1.006	2	122.8260	1.011	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.3200	0.000	1	122.3200	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	124.0430	0.000	1	123.9680	0.059	3	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	123.9305	0.332	2	123.9680	0.059	3	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5640	0.000	1	122.8898	0.311	5	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.1240	0.000	1	122.8898	0.311	5	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5860	0.000	1	122.8898	0.311	5	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0430	0.000	1	122.8898	0.311	5	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.1320	0.000	1	122.8898	0.311	5	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.4760	0.000	1	123.4760	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.3665	0.600	2	123.3665	0.360	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.0530	0.098	2	123.0530	0.010	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.5850	0.000	1	122.5850	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.7200	0.000	1	122.6255	0.018	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.5310	0.000	1	122.6255	0.018	2	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5,5]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8960	0.000	1	121.8960	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.0800	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.7800	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4093	0.255	3	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0520	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5060	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.7170	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.3730	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3380	0.280	2	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.5150	0.000	1	122.4939	0.167	12	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]S[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3610	0.000	1	122.3610	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.8090	0.000	1	122.8090	0.000	1	122.8659	0.371	40	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.2690	0.000	1	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.1340	0.000	1	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.8280	0.000	1	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	124.5873	0.117	3	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.1450	0.000	1	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6,6a]C[6])	C[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[5,6a]C[5,6,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	124.3305	0.152	2	124.4221	0.062	9	124.4221	0.062	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	121.7218	0.483	4	121.7218	0.233	4	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|F<1>,3|C<3>}	125.3600	0.000	1	125.3600	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6730	0.000	1	122.7068	0.019	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6993	0.188	3	122.7068	0.019	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.7630	0.000	1	122.7068	0.019	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.7958	0.304	5	122.8490	0.091	6	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	123.1150	0.000	1	122.8490	0.091	6	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1980	0.000	1	122.3184	0.268	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.8750	0.082	2	122.3184	0.268	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0960	0.000	1	122.3184	0.268	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5480	0.000	1	122.3184	0.268	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.6050	0.000	1	122.6050	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5990	0.000	1	122.5990	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.2983	0.606	7	122.3012	0.437	15	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3038	0.747	8	122.3012	0.437	15	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7317	0.519	6	121.7317	0.269	6	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1977	0.112	4	122.6197	0.212	8	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.0418	0.086	4	122.6197	0.212	8	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.1480	0.000	1	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	122.6077	0.269	3	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0090	0.013	2	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.0970	0.000	1	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<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]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	122.4068	0.581	4	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<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>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.3070	0.000	1	122.5850	0.207	12	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.4650	0.000	1	123.4650	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5060	0.197	2	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8107	0.232	3	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6544	0.327	5	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2450	0.000	1	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.4020	0.000	1	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3440	0.594	6	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2260	0.000	1	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9630	0.000	1	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.7574	0.264	5	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5640	0.464	2	122.6493	0.221	27	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.3630	0.000	1	122.3630	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	121.5570	0.182	2	121.5570	0.033	2	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6,6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6950	0.000	1	122.6950	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.3330	0.245	2	122.3330	0.060	2	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8820	0.000	1	122.1100	0.104	2	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3380	0.000	1	122.1100	0.104	2	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.1120	0.000	1	123.1120	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.6800	0.000	1	122.3220	0.125	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5180	0.003	2	122.3220	0.125	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9470	0.115	2	122.3220	0.125	5	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.4070	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2690	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.2040	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1290	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4450	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3645	0.254	4	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2550	0.404	4	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.4140	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2240	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.8080	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.4260	0.000	1	122.2238	0.104	17	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	122.9540	0.000	1	122.9540	0.000	1	122.4523	0.351	124	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[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[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	126.1910	0.000	1	125.5577	0.260	4	125.5577	0.260	4	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[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[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	125.6560	0.000	1	125.5577	0.260	4	125.5577	0.260	4	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[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[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,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[6a,6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	125.1920	0.317	2	125.5577	0.260	4	125.5577	0.260	4	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.1215	0.532	2	123.8400	0.379	3	123.8400	0.379	3	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.2770	0.000	1	123.8400	0.379	3	123.8400	0.379	3	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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[3x6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.4225	0.146	2	123.4225	0.021	2	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C){2|H<1>,5|C<3>}	124.9740	0.000	1	124.9740	0.000	1	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C){2|H<1>,5|C<3>}	124.2895	0.185	2	124.2895	0.034	2	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	124.3700	0.000	1	124.3700	0.000	1	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	123.0100	0.168	3	123.0100	0.028	3	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	122.9815	0.110	2	122.9815	0.012	2	123.6146	0.543	11	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4240	0.000	1	121.4240	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.5210	0.000	1	122.0365	0.531	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.5520	0.000	1	122.0365	0.531	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>}	121.4640	0.000	1	121.4640	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.3588	0.196	4	122.3588	0.038	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.5570	0.000	1	122.5570	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.3667	0.062	4	123.3667	0.004	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.9675	0.383	15	122.9675	0.147	15	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.1400	0.182	2	121.1400	0.033	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|Br<1>,1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	122.8498	0.386	4	123.0687	0.204	6	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	123.5060	0.000	1	123.0687	0.204	6	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	123.5070	0.000	1	123.0687	0.204	6	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.6720	0.000	1	123.6720	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9070	0.000	1	122.9070	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2130	0.000	1	123.2130	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.3880	0.000	1	122.3880	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.0445	0.342	2	123.0445	0.117	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9247	0.088	3	122.9247	0.008	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.6940	0.000	1	123.6940	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	123.0730	0.000	1	123.0730	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8050	0.000	1	123.1347	0.086	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2995	0.097	2	123.1347	0.086	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	122.6910	0.000	1	122.6910	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.7410	0.000	1	122.1185	0.257	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2443	0.538	3	122.1185	0.257	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.4440	0.116	2	123.2116	0.216	44	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3300	0.079	2	123.2116	0.216	44	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.6630	0.000	1	123.2116	0.216	44	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1821	0.484	39	123.2116	0.216	44	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.4785	0.101	2	123.4634	0.065	10	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.4596	0.286	8	123.4634	0.065	10	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0335	0.029	2	123.0983	0.270	37	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.1910	0.000	1	123.0983	0.270	37	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.6230	0.350	3	123.0983	0.270	37	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.0750	0.197	2	123.0983	0.270	37	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0814	0.526	29	123.0983	0.270	37	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3780	0.055	2	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.0460	0.000	1	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	123.5050	0.000	1	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5070	0.000	1	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2120	0.000	1	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.2010	0.247	2	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3500	0.876	145	122.3083	1.073	153	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	122.7070	0.000	1	122.7070	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	123.0400	0.204	2	123.0400	0.041	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]S){1|H<1>,3|C<3>}	122.7950	0.000	1	122.7950	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,3|C<3>}	122.9070	3.075	2	123.0473	4.785	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,3|C<3>}	123.3280	0.000	1	123.0473	4.785	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.3760	0.000	1	123.2198	1.423	17	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5030	0.107	2	123.2198	1.423	17	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.2850	0.000	1	123.2198	1.423	17	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5438	0.877	13	123.2198	1.423	17	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]Ru)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]Ru){2|H<1>,3|C<3>}	119.0600	0.000	1	119.0600	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.0405	0.167	4	123.0405	0.028	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.9320	0.000	1	123.4820	0.114	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.3320	0.190	3	123.4820	0.114	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5340	0.000	1	122.3750	2.564	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2955	0.210	2	122.3750	2.564	3	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Si)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.1745	0.254	2	123.1745	0.064	2	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4960	0.000	1	121.4960	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7049	0.271	9	121.7049	0.073	9	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|I<1>,3|C<3>}	123.0270	0.000	1	123.0270	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.2390	0.000	1	123.2390	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	124.9280	0.000	1	124.9280	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|F<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	124.5108	0.308	4	124.5108	0.095	4	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	122.8880	0.000	1	122.8880	0.000	1	122.7009	0.966	355	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.7890	0.000	1	121.7890	0.000	1	122.1362	0.242	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.8440	0.000	1	122.2693	0.225	7	122.1362	0.242	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.1735	0.439	6	122.2693	0.225	7	122.1362	0.242	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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])2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.5520	0.000	1	121.5520	0.000	1	122.1362	0.242	9	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,2|O<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[5,6a]O)(C[6a]N[6a]O){2|C<3>,3|C<4>}	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	125.3170	0.000	1	125.3170	0.000	1	125.3170	0.000	1	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	124.0070	0.000	1	124.4868	0.086	6	124.4170	0.079	8	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	124.4960	0.000	1	124.4868	0.086	6	124.4170	0.079	8	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	124.6045	0.221	4	124.4868	0.086	6	124.4170	0.079	8	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|C<4>,3|C<3>}	124.2075	0.049	2	124.2075	0.002	2	124.4170	0.079	8	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<4>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]N[6a]O){2|C<4>,5|C<3>}	124.0952	0.676	4	124.0952	0.457	4	124.0952	0.457	4	122.7891	0.935	629	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.8237	0.123	7	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	121.0290	0.000	1	120.8887	0.112	6	120.8237	0.123	7	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9490	0.682	2	120.8887	0.112	6	120.8237	0.123	7	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	120.8575	0.159	2	120.8887	0.112	6	120.8237	0.123	7	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	120.6900	0.000	1	120.8887	0.112	6	120.8237	0.123	7	120.9254	0.188	8	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.0060	0.000	1	123.0060	0.000	1	123.0060	0.000	1	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5,6a]){1|N<3>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	122.8230	0.000	2	122.8230	0.000	2	122.8230	0.000	2	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	125.1150	0.000	1	125.1150	0.000	1	124.8393	0.066	3	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	124.6070	0.000	1	124.6070	0.000	1	124.8393	0.066	3	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	124.7960	0.000	1	124.7960	0.000	1	124.8393	0.066	3	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.3995	0.180	2	122.8257	0.551	6	122.9376	0.440	8	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.5387	0.760	4	122.8257	0.551	6	122.9376	0.440	8	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	123.3870	0.000	1	123.3870	0.000	1	122.9376	0.440	8	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	123.1600	0.000	1	123.1600	0.000	1	122.9376	0.440	8	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.4500	0.000	1	122.4500	0.000	1	122.2882	0.270	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.2882	0.270	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	121.7840	0.000	1	121.7840	0.000	1	122.2882	0.270	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.7080	0.000	1	122.1595	0.408	2	122.2882	0.270	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.6110	0.000	1	122.1595	0.408	2	122.2882	0.270	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]){1|H<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	124.2370	0.045	2	124.2370	0.002	2	124.2370	0.002	2	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.6750	0.031	2	123.6750	0.001	2	123.5096	0.120	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	123.3993	0.440	3	123.3993	0.194	3	123.5096	0.120	5	123.1979	0.807	28	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	120.9520	0.000	1	120.8763	0.007	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	120.7820	0.000	1	120.8763	0.007	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	120.8950	0.000	1	120.8763	0.007	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	121.1657	0.397	3	121.1335	0.109	4	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	121.0370	0.000	1	121.1335	0.109	4	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	121.5410	0.041	2	121.5410	0.002	2	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<3>,2|N<3>,3|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	122.7773	0.203	3	122.7773	0.041	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	122.9930	0.000	1	122.9930	0.000	1	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	123.4300	0.000	1	122.7540	0.433	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	122.4160	0.426	2	122.7540	0.433	3	121.8645	0.848	16	121.8651	0.795	17	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	123.7577	1.240	3	123.7577	1.537	3	123.7577	1.537	3	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	123.2610	0.000	1	122.6830	0.668	2	122.6830	0.668	2	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	122.1050	0.000	1	122.6830	0.668	2	122.6830	0.668	2	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	121.7135	0.210	2	121.7135	0.044	2	121.7135	0.044	2	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.4620	0.509	10	121.4620	0.259	10	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.3695	0.164	6	120.2537	0.994	12	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.4865	0.057	2	120.2537	0.994	12	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.6380	0.144	2	120.2537	0.994	12	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){5|C<3>}	121.2890	0.001	2	120.2537	0.994	12	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|I<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I){5|C<3>}	121.4260	0.000	1	121.4260	0.000	1	120.8300	0.982	23	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|Br<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]Br){1|O<1>,4|C<3>}	122.1990	0.000	1	122.1990	0.000	1	123.0078	0.239	5	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]C){1|O<1>,4|C<3>}	123.3100	0.198	2	123.3100	0.039	2	123.0078	0.239	5	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(N[6a]C[6a,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,4|C<3>}	123.1100	0.239	2	123.1100	0.057	2	123.0078	0.239	5	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]C){1|O<1>,4|C<3>}	127.1110	0.000	1	127.1110	0.000	1	127.1110	0.000	1	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	123.5900	0.000	1	123.5900	0.000	1	124.8091	0.315	9	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	125.1775	0.016	2	124.8874	0.090	7	124.8091	0.315	9	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){2|C<4>,3|C<3>}	124.7714	0.276	5	124.8874	0.090	7	124.8091	0.315	9	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:2:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	125.4800	0.000	1	125.4800	0.000	1	124.8091	0.315	9	122.3242	3.823	45	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[5a,6a])	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[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>}	122.8360	0.055	2	122.8360	0.003	2	122.8360	0.003	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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:N[6a]-2:	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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	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[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>}	121.6697	0.354	6	121.6697	0.125	6	121.7801	0.530	14	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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:N[6a]-2:	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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	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[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>}	121.9102	1.318	4	121.9102	1.736	4	121.7801	0.530	14	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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:N[6a]-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[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	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[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>}	121.6965	0.821	2	121.6965	0.674	2	121.7801	0.530	14	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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:N[6a]-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[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[5a,6a]N[6a])(N[6a]C[6a,6a])	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[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>}	121.9350	0.429	2	121.9350	0.184	2	121.7801	0.530	14	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:N[6a]-2:	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	121.7120	0.000	1	121.7120	0.000	1	123.3106	0.943	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:N[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	123.3415	0.136	2	123.3415	0.019	2	123.3106	0.943	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:N[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.0790	0.127	2	124.0790	0.016	2	123.3106	0.943	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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:N[6a]-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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])	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[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>}	121.5070	0.867	2	121.5070	0.752	2	121.5070	0.752	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[6a,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[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>}	121.5800	0.228	12	121.5800	0.052	12	121.5800	0.052	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[6a]-2:	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a,6a]2)(N[6a]C[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[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>}	120.8720	0.212	2	120.8720	0.045	2	120.8720	0.045	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	121.5737	0.210	3	121.5737	0.044	3	121.8238	0.365	77	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	120.8050	1.061	4	121.8721	0.350	69	121.8238	0.365	77	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	121.9378	0.494	65	121.8721	0.350	69	121.8238	0.365	77	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	121.4540	0.000	1	121.3066	0.547	5	121.8238	0.365	77	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	121.2698	0.848	4	121.3066	0.547	5	121.8238	0.365	77	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	122.0145	0.192	2	122.0145	0.037	2	121.6613	0.393	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])2{1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	120.9550	0.000	1	120.9550	0.000	1	121.6613	0.393	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	121.3325	1.125	2	121.3325	1.266	2	121.4953	0.472	69	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	121.5154	0.491	10	121.5154	0.241	10	121.4953	0.472	69	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	121.4630	0.671	56	121.4630	0.450	56	121.4953	0.472	69	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|N<3>,2|H<1>,4|C<3>}	123.4340	0.000	1	123.4340	0.000	1	121.4953	0.472	69	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	121.8050	0.000	1	121.7730	0.002	2	121.7730	0.002	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	121.7410	0.000	1	121.7730	0.002	2	121.7730	0.002	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	122.4750	0.348	2	122.4750	0.121	2	122.4750	0.121	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.1330	0.000	1	121.1330	0.000	1	121.2323	0.053	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	121.2820	0.301	2	121.2820	0.091	2	121.2323	0.053	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)2{1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	120.8540	0.332	2	120.8540	0.110	2	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.4560	0.421	2	121.4560	0.178	2	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.8803	0.177	20	121.8054	0.079	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.9080	0.000	1	121.8054	0.079	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.6170	0.505	2	121.8054	0.079	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.7867	0.274	12	121.8054	0.079	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.8380	0.000	1	121.9710	0.030	3	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	122.0375	0.183	2	121.9710	0.030	3	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.6497	0.342	4	121.3313	0.237	14	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.4670	0.608	2	121.3313	0.237	14	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){7|C<3>}	121.7725	0.199	2	121.3313	0.237	14	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	120.7567	0.112	4	121.3313	0.237	14	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	121.2665	0.343	2	121.3313	0.237	14	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){1|N<2>,5|C<3>}	121.9335	0.045	2	121.8665	0.772	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a,6a]){2|N<2>,4|C<3>}	121.8624	0.905	33	121.8665	0.772	35	121.7328	0.414	91	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	121.4020	0.000	1	121.2985	0.021	2	120.7027	1.076	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	121.1950	0.000	1	121.2985	0.021	2	120.7027	1.076	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]N[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	119.5110	0.000	1	119.5110	0.000	1	120.7027	1.076	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	121.2400	0.000	1	120.9587	0.093	3	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	120.8180	0.259	2	120.9587	0.093	3	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	121.2576	0.303	7	121.2576	0.092	7	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	121.2441	1.177	22	121.0418	1.801	26	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|H<1>,5|C<3>}	119.9292	1.834	4	121.0418	1.801	26	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.5760	0.000	1	118.5760	0.000	1	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	116.9780	0.677	2	117.9452	1.080	5	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	118.7345	0.786	2	117.9452	1.080	5	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	118.3010	0.000	1	117.9452	1.080	5	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	118.5640	0.000	1	118.8532	0.113	5	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	118.9255	0.339	4	118.8532	0.113	5	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){3|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){2|N<2>,4|C<3>}	121.0174	0.793	11	121.0174	0.630	11	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	121.0052	1.795	32	121.0398	2.960	35	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|O<2>,2|N<2>,3|C<3>}	121.4087	0.387	3	121.0398	2.960	35	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	121.5568	0.771	12	121.5568	0.595	12	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(N[6a]C[6a]){1|C<2>,2|N<2>,3|C<3>}	121.8403	0.265	3	121.8403	0.070	3	120.8622	2.281	108	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.3900	0.000	1	120.3900	0.000	1	120.3900	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	122.1580	0.000	1	122.1580	0.000	1	121.7220	0.143	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,3|C<3>}	121.4980	0.000	1	121.4980	0.000	1	121.7220	0.143	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	121.5100	0.000	1	121.5100	0.000	1	121.7220	0.143	3	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[5,6a]){1|H<1>,1|N<3>,3|C<3>}	121.7690	0.873	2	121.7690	0.761	2	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	121.8650	0.000	1	121.8650	0.000	1	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5,6a]){1|C<2>,1|N<2>,3|C<3>}	121.4530	0.000	1	121.4530	0.000	1	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	121.8830	0.000	1	121.8830	0.000	1	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|C<2>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[5,6a]){1|C<2>,4|C<3>}	121.4590	0.000	1	121.4590	0.000	1	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|Cl<1>,3|C<3>}	121.7500	0.122	2	122.3913	0.655	6	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|F<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|F<1>,3|C<3>}	122.0225	0.230	2	122.3913	0.655	6	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|H<1>,3|C<3>}	123.4015	0.264	2	122.3913	0.655	6	122.0455	0.514	12	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[5a,6a]){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	120.9470	0.000	1	120.9470	0.000	1	121.5120	0.638	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	122.0770	0.000	1	122.0770	0.000	1	121.5120	0.638	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a]){1|C<2>,1|N<2>,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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(N[6a]C[6,6a]){1|C<2>,1|N<2>,3|C<3>}	120.5680	0.686	2	120.5680	0.470	2	120.5680	0.470	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	120.9260	0.137	2	120.9260	0.019	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	120.4440	1.042	2	120.9005	0.644	4	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	121.3570	0.113	2	120.9005	0.644	4	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	121.4685	0.204	2	121.4685	0.042	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<2>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<2>,1|S<2>,5|C<3>}	119.6287	0.298	4	119.6287	0.089	4	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	121.1440	0.000	1	121.2090	0.008	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	121.2740	0.000	1	121.2090	0.008	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	121.2248	0.474	4	121.2248	0.225	4	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,3|C<3>}	121.7245	0.271	2	121.7245	0.073	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	121.3220	0.003	2	121.3220	0.000	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]Cl)(N[6a]C[6a,6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	122.1250	0.127	2	122.1250	0.016	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	120.8208	0.121	6	120.8208	0.015	6	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	121.4415	0.648	2	121.6430	0.790	20	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,1|N<2>,3|C<3>}	121.0225	0.495	4	121.6430	0.790	20	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	122.3106	1.072	7	121.6430	0.790	20	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|Cl<1>,1|C<2>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|C<2>,4|C<3>}	121.0350	0.304	4	121.6430	0.790	20	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|N<2>,4|C<3>}	121.8577	0.405	3	121.6430	0.790	20	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(N[6a]C[6a,6a]){1|Cl<1>,4|C<3>}	121.3920	0.188	2	121.3920	0.035	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	120.8929	0.171	8	120.8929	0.029	8	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	120.9545	0.326	4	120.9545	0.106	4	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	121.4215	0.165	2	121.4215	0.027	2	121.1960	0.577	66	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(O[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(O[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	123.2470	0.000	1	123.2470	0.000	1	123.2470	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	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>}	119.6750	0.000	1	119.6750	0.000	1	120.8222	4.570	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	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>}	119.0750	0.127	2	119.0750	0.016	2	120.8222	4.570	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	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>}	122.9550	0.000	1	123.1430	0.071	2	120.8222	4.570	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	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>}	123.3310	0.000	1	123.1430	0.071	2	120.8222	4.570	5	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	121.2280	0.000	1	121.2280	0.000	1	121.2280	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	120.6148	0.529	8	120.5918	0.224	10	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.5000	0.178	2	120.5918	0.224	10	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	121.2975	0.821	4	121.2975	0.674	4	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	119.5480	0.426	2	119.5480	0.181	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.2845	0.252	8	121.2845	0.063	8	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.1910	0.000	1	121.1910	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|C<3>,3|C<4>}	120.3403	0.156	3	120.3403	0.024	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]O)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	121.2930	0.116	2	121.2930	0.013	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,3|C<3>}	119.8590	0.593	2	119.8590	0.351	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	119.0770	0.178	2	119.0770	0.032	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<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<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	120.4477	0.209	6	120.5257	0.079	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){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>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	120.9940	0.000	1	120.5257	0.079	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	120.0800	0.339	4	120.2227	0.156	6	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.5080	0.437	2	120.2227	0.156	6	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.8020	0.000	1	120.6413	0.057	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	120.5610	0.274	2	120.6413	0.057	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Cl<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	120.2346	0.508	5	120.0412	0.215	19	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	120.0330	0.215	5	120.0412	0.215	19	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Pd<4>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|H<1>,5|C<3>}	119.8723	0.721	3	120.0412	0.215	19	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	119.9713	0.511	6	120.0412	0.215	19	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	120.3210	0.000	1	120.2150	0.022	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	120.1090	0.000	1	120.2150	0.022	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	120.1590	0.000	1	119.7873	0.442	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	119.7253	0.706	6	119.7873	0.442	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	120.4750	0.225	2	120.4750	0.051	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	120.8100	0.525	3	120.8100	0.276	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.0120	0.000	1	122.0120	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	120.9840	0.000	1	120.9840	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,3|C<3>}	121.0710	0.000	1	121.0710	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,3|C<3>}	120.9750	0.345	2	120.9750	0.119	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	120.4480	0.474	2	120.4480	0.224	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	122.0770	0.000	1	122.0770	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	122.0630	0.023	2	122.0783	0.001	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	122.1090	0.000	1	122.0783	0.001	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|Cl<1>,3|C<3>}	120.8620	0.000	1	120.8620	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	120.4780	0.000	1	120.4780	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|Cl<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	124.4570	0.000	1	124.4570	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	120.6025	0.868	2	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.4130	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.2760	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.0750	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.1600	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.2462	0.624	32	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.7960	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	120.5000	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.7395	0.493	4	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.8970	0.288	4	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,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>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.9855	0.203	2	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.4970	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.3490	0.000	1	120.5320	0.447	52	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.3090	0.000	1	120.3090	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,3|H<1>}	120.9600	0.000	1	120.9600	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	121.0200	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	120.8870	0.345	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	121.0200	0.068	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	121.0120	0.335	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	120.3510	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	121.3990	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	120.9315	0.448	4	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.7850	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.2275	0.187	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.7990	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	120.7510	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.8107	0.316	6	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.2975	1.866	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	120.9770	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	120.6940	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	121.6795	0.299	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.8331	0.304	37	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	121.6580	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.1060	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	121.6170	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	121.2840	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.5390	0.092	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.4820	0.106	3	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	122.3550	1.022	2	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.2020	0.000	1	120.9815	0.252	79	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	119.8810	0.195	2	119.9652	0.061	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.2630	0.000	1	119.9652	0.061	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	119.9005	0.306	2	119.9652	0.061	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,3|C<3>}	119.6005	0.272	2	119.6005	0.074	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.8290	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.5765	0.054	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.6300	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.7480	0.182	3	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.1400	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.4275	0.467	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	120.9543	0.242	4	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.9105	0.298	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.4690	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.9835	0.149	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	121.1560	0.375	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.9171	0.417	30	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	121.3650	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<2>,2|C<3>}	120.7390	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	121.0250	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	120.8470	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	120.9417	0.095	4	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.6478	0.379	4	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.2153	0.236	3	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.0360	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	120.6180	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	121.2720	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	120.9675	0.134	2	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.1620	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.8263	0.193	3	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<3>,2|H<1>}	121.3680	0.000	1	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.1452	0.396	10	120.9890	0.133	86	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	121.4480	0.000	1	121.0747	0.359	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.1410	0.000	1	121.0747	0.359	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.8860	0.000	1	121.0747	0.359	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Mn<8>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.6050	0.000	1	121.0747	0.359	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4810	0.079	3	121.0747	0.359	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	120.6350	0.588	2	120.8109	0.096	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.0630	0.000	1	120.8109	0.096	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	120.8358	0.185	4	120.8109	0.096	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.1160	0.000	1	120.4850	0.155	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	120.4150	0.000	1	120.4850	0.155	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	120.6395	0.842	2	120.4850	0.155	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4630	0.021	2	120.4850	0.155	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	120.6590	0.000	1	120.4850	0.155	7	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4540	0.000	1	120.4540	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,3|H<1>}	123.2745	0.111	2	123.2367	0.010	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	123.1610	0.000	1	123.2367	0.010	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.5710	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.8960	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.5627	0.256	3	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.3530	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.6900	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.5175	0.098	2	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	121.3345	0.107	2	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	121.2840	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.9596	0.179	5	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	121.1870	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	120.1953	0.388	12	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	120.8979	0.233	12	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	121.8670	0.232	2	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	121.3740	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	121.3200	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.9736	0.229	16	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	120.7864	0.505	35	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.0880	0.000	1	120.8358	0.239	98	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,3|H<1>}	123.1680	0.011	2	123.1680	0.000	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.0070	0.000	1	120.0070	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.1790	0.000	1	121.1790	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.6305	0.149	2	121.7236	1.799	18	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	120.6735	1.459	4	121.7236	1.799	18	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	122.2557	1.127	12	121.7236	1.799	18	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	120.0750	0.000	1	120.2320	0.229	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Pd<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>}	120.2713	0.543	4	120.2320	0.229	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	120.8260	0.000	1	120.8260	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	120.0710	0.008	2	119.9767	0.027	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.7880	0.000	1	119.9767	0.027	3	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.9460	0.000	1	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	121.5750	0.000	1	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	121.1630	0.163	6	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.4783	1.641	4	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|H<1>}	121.3433	0.057	3	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.1330	0.366	12	121.0755	0.449	27	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	120.4750	0.515	2	121.2272	0.929	33	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	121.2801	0.987	30	121.2272	0.929	33	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.1430	0.000	1	121.2272	0.929	33	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5]){1|Rh<4>,1|H<1>,1|N<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,2|H<1>}	121.5390	0.201	2	121.5390	0.040	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	121.2470	0.693	4	121.2470	0.480	4	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.6788	0.426	4	121.0602	0.227	13	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	121.2602	0.389	6	121.0602	0.227	13	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,2|H<1>}	121.7530	0.000	1	121.0602	0.227	13	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	121.0460	0.000	1	121.0602	0.227	13	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,2|H<1>}	120.7070	0.000	1	121.0602	0.227	13	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.6900	0.000	1	119.6900	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.1910	0.000	1	119.1910	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	119.0990	0.000	1	119.0990	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|C<3>,2|H<1>}	120.3380	0.000	1	120.3380	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	120.6590	0.000	1	120.6590	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	121.4535	0.183	2	121.5114	0.110	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	121.3530	0.000	1	121.5114	0.110	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	121.6485	0.579	2	121.5114	0.110	5	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|Cl<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	119.8750	0.000	1	119.8750	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<3>,5|C<3>}	123.3630	0.000	1	123.3630	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	122.5610	0.000	1	122.5610	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	121.4645	0.424	2	121.4645	0.179	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	120.2520	0.027	2	120.2520	0.001	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	120.3810	0.362	2	120.3810	0.131	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,2|H<1>}	122.7815	0.296	2	122.7815	0.088	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	123.2730	0.000	1	123.2730	0.000	1	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	124.0960	0.530	2	124.0960	0.281	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.0745	0.339	2	124.0745	0.115	2	120.9090	0.660	586	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.1020	0.000	1	121.5260	0.396	3	121.3244	0.914	9	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.2380	0.543	2	121.5260	0.396	3	121.3244	0.914	9	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	121.9050	0.000	1	121.2237	1.267	6	121.3244	0.914	9	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	121.0874	1.202	5	121.2237	1.267	6	121.3244	0.914	9	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<1>,2|N<2>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	122.7950	0.096	2	122.7950	0.009	2	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	121.3410	0.543	4	121.0839	0.222	9	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	120.8180	0.000	1	121.0839	0.222	9	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.8932	0.372	4	121.0839	0.222	9	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	122.1024	0.294	9	122.1024	0.087	9	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	121.2700	0.000	1	121.2700	0.000	1	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	121.7420	0.000	1	121.7420	0.000	1	121.6945	0.473	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	123.5040	0.253	4	123.5040	0.064	4	123.5040	0.064	4	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	122.4410	0.000	1	122.3735	0.009	2	122.3735	0.009	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	122.3060	0.000	1	122.3735	0.009	2	122.3735	0.009	2	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	123.2300	0.082	2	123.2300	0.007	2	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<4>,3|C<3>}	121.7947	0.303	4	121.6100	0.134	8	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	121.4253	0.362	4	121.6100	0.134	8	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	121.6270	0.000	1	122.1220	0.490	2	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	122.6170	0.000	1	122.1220	0.490	2	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,3|C<4>}	122.6730	0.000	1	122.6730	0.000	1	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,2|H<1>}	122.0432	0.298	9	122.0432	0.089	9	122.0294	0.327	22	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	125.1797	0.171	4	125.1797	0.029	4	125.1797	0.029	4	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	121.2061	0.989	1141	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[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[6a,6a](C[6a,6a]C[5,6,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5,6,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.3220	0.011	2	123.3220	0.000	2	123.3220	0.000	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)2	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.5770	0.000	1	122.5770	0.000	1	122.8632	0.161	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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]C)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	122.7590	0.000	1	122.7105	0.005	2	122.8632	0.161	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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]C)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	122.6620	0.000	1	122.7105	0.005	2	122.8632	0.161	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-3:	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.4550	0.000	1	123.4550	0.000	1	122.8632	0.161	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]I)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]I){5|C<3>}	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H){5|C<3>}	122.3320	0.000	1	122.3320	0.000	1	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	123.3280	0.000	1	123.3280	0.000	1	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	123.4510	0.000	1	123.4510	0.000	1	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	123.0825	0.607	2	123.0825	0.369	2	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.9235	0.052	2	122.9235	0.003	2	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.3690	0.000	1	123.2930	0.365	6	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,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[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.2778	0.674	5	123.2930	0.365	6	123.1447	0.268	13	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.5045	0.551	2	121.5045	0.303	2	121.5045	0.303	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(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[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.5282	0.355	4	121.5282	0.126	4	121.5282	0.126	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.3850	0.051	3	123.3850	0.003	3	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5980	0.000	1	122.3165	0.158	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.0350	0.000	1	122.3165	0.158	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4395	0.343	2	122.4395	0.118	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	125.0084	1.289	8	125.0084	1.661	8	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.6760	0.508	2	124.0826	1.394	15	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	124.5606	0.604	12	124.0826	1.394	15	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.1600	0.000	1	124.0826	1.394	15	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.7955	0.080	2	124.7955	0.006	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.4930	0.000	1	124.4930	0.000	1	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	124.3380	0.000	1	124.3380	0.000	1	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6,6a]C[6,6a]N[6])(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[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.5430	0.000	1	124.5430	0.000	1	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.2905	0.121	2	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.3170	0.000	1	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.0110	0.000	1	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|In<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.0595	0.480	2	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<5>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.9440	0.000	1	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1140	0.000	1	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.9602	0.731	74	123.8310	0.724	82	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	120.9420	0.000	1	120.9420	0.000	1	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]N[6])(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[6a,6a]C[6,6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.8960	0.000	1	123.8960	0.000	1	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]O[6])(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[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.7205	0.234	2	122.7205	0.055	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6,6a]C[6,6a]O[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.3340	0.711	2	123.3340	0.506	2	123.8620	1.033	123	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.0375	0.036	2	125.0375	0.001	2	125.0375	0.001	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	122.9720	0.000	1	123.3847	0.132	3	123.3847	0.132	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.5910	0.098	2	123.3847	0.132	3	123.3847	0.132	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	123.9310	0.000	1	123.7217	0.054	3	123.7217	0.054	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	123.7630	0.000	1	123.7217	0.054	3	123.7217	0.054	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	123.4710	0.000	1	123.7217	0.054	3	123.7217	0.054	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.4170	0.344	3	123.4170	0.118	3	123.4170	0.118	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){3|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.3040	0.000	1	123.3040	0.000	1	123.1565	0.044	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a,6a]C[6a,6a]2){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.0090	0.000	1	123.0090	0.000	1	123.1565	0.044	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[5a,6a]){1|H<1>,7|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	123.7825	0.090	2	123.7825	0.008	2	123.7825	0.008	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(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,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.5160	0.000	1	123.5160	0.000	1	123.5393	0.007	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5a,6a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]O[6a]O){4|C<3>}	123.5470	0.100	3	123.5470	0.010	3	123.5393	0.007	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.0370	0.000	1	122.8420	0.076	2	122.8057	0.042	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.6470	0.000	1	122.8420	0.076	2	122.8057	0.042	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[5,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.7330	0.000	1	122.7330	0.000	1	122.8057	0.042	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.4210	0.384	5	122.4210	0.148	5	122.4917	0.117	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6,6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6,6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.6685	0.145	2	122.6685	0.021	2	122.4917	0.117	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a,6a]C[6a,6a]2){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,7|C<3>}	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	124.0580	0.000	1	123.7090	0.244	2	123.4777	0.282	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	123.3600	0.000	1	123.7090	0.244	2	123.4777	0.282	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a,6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	123.0150	0.000	1	123.0150	0.000	1	123.4777	0.282	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.6300	0.000	1	121.6300	0.000	1	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){6|C<3>}	122.9620	0.000	1	122.9620	0.000	1	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){4|C<3>}	123.5655	0.616	2	123.5655	0.379	2	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	123.1620	0.000	1	122.6360	0.553	2	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	122.1100	0.000	1	122.6360	0.553	2	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){6|C<3>}	123.7670	0.000	1	123.7670	0.000	1	123.0012	0.624	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,6|C<3>}	123.6160	0.000	1	123.6160	0.000	1	123.6160	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	122.4797	0.126	8	122.4797	0.016	8	122.4797	0.016	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a,6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.2000	0.403	2	123.2000	0.162	2	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.0595	0.110	2	122.3020	0.089	4	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	122.5445	0.139	2	122.3020	0.089	4	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.0096	0.358	31	121.9986	0.182	62	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	122.3366	0.212	13	121.9986	0.182	62	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	121.9732	0.256	6	121.9986	0.182	62	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,2|N<2>,3|C<3>}	120.6620	0.000	1	121.9986	0.182	62	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	121.7035	0.466	11	121.9986	0.182	62	122.0518	0.218	68	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|N<2>}	122.1465	0.538	10	122.2329	0.431	12	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	121.7460	0.000	1	122.2329	0.431	12	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	123.5840	0.000	1	122.2329	0.431	12	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,2|C<3>}	121.2070	0.257	2	121.2070	0.066	2	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,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[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	121.9935	0.190	2	121.9935	0.036	2	122.0785	0.417	17	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.9210	0.000	1	122.9210	0.000	1	122.2975	0.715	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Pt){1|H<1>,5|C<3>}	120.3900	0.000	1	120.3900	0.000	1	122.2975	0.715	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	122.8007	0.276	3	122.8007	0.076	3	122.2975	0.715	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	122.2223	0.152	3	122.2223	0.023	3	122.2975	0.715	8	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.1155	0.135	2	121.1155	0.018	2	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	123.5090	0.501	2	123.5090	0.251	2	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	122.5705	0.256	56	122.5705	0.065	56	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.1620	0.000	1	122.1620	0.000	1	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.3030	0.000	1	123.0945	0.087	2	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8860	0.000	1	123.0945	0.087	2	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.3190	0.000	1	123.3190	0.000	1	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])2(C[6a]C[6a]H){1|H<1>,5|C<3>}	121.6640	0.000	1	121.6640	0.000	1	122.5620	0.188	65	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){5|C<3>}	121.0860	0.000	1	121.0860	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.9800	0.000	1	122.9800	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.1665	0.342	10	121.1665	0.117	10	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.9050	0.000	1	121.9050	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.7200	0.000	1	122.7200	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3940	0.000	1	121.3940	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	119.7310	0.000	1	119.7310	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	122.4380	0.000	1	122.4380	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	122.7280	0.000	1	122.7885	0.007	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8490	0.000	1	122.7885	0.007	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.4340	0.000	1	122.4340	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.3690	0.000	1	123.3690	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.8145	0.460	2	123.8145	0.212	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.3363	0.262	4	122.3363	0.069	4	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(C[6a]O[6a]O){1|H<1>,3|C<3>}	123.7250	0.000	1	123.7250	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.8015	0.497	2	121.7542	0.092	4	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	121.7070	0.140	2	121.7542	0.092	4	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.2050	0.000	1	122.2050	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.2480	0.000	1	122.2480	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.9023	0.359	7	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	119.8620	0.451	2	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.7660	0.000	1	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Si<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.0426	0.746	14	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.9930	0.000	1	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.7170	0.551	3	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	121.5110	0.000	1	122.5192	1.128	29	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Ir)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Ir<6>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	119.9830	0.000	1	119.9830	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){4|C<3>}	123.4080	0.000	1	123.4080	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.3500	0.669	2	122.3500	0.447	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.0925	0.310	2	120.3160	0.198	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.7630	0.000	1	120.3160	0.198	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){3|C<3>}	123.0630	0.000	1	123.0630	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(C[6a]O[6a]O){3|C<3>}	121.1180	0.000	1	121.1180	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.3157	0.638	3	122.3157	0.407	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	121.8950	0.000	1	122.3777	0.194	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.6190	0.198	2	122.3777	0.194	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.7215	0.787	2	122.7215	0.619	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.3154	0.559	17	122.3602	0.298	19	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.7415	0.206	2	122.3602	0.298	19	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Br<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.9937	0.139	3	122.9937	0.019	3	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.9750	0.262	2	122.9750	0.068	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.3722	0.497	6	123.3722	0.247	6	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	122.7704	0.732	11	122.7704	0.536	11	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.4608	0.705	40	122.4577	0.441	46	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.4375	0.293	6	122.4577	0.441	46	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	124.1530	0.437	2	124.1530	0.191	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.2055	0.326	2	122.2055	0.106	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	123.1270	0.112	2	123.1270	0.012	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.7849	0.371	7	122.9228	1.000	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|N<2>}	123.0838	1.476	6	122.9228	1.000	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	122.1213	0.514	4	122.3968	0.508	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.8373	0.395	3	122.3968	0.508	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.3695	0.559	2	122.3968	0.508	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.2180	0.000	1	122.3968	0.508	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.7347	0.575	3	122.3968	0.508	13	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.6170	0.000	1	122.6170	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.1810	0.257	2	123.1810	0.066	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.7260	0.000	1	122.8299	0.326	15	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,2|N<2>}	122.6475	0.170	6	122.8299	0.326	15	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	122.9990	0.000	1	122.8299	0.326	15	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1475	0.513	2	122.8299	0.326	15	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	122.9088	0.961	5	122.8299	0.326	15	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|N<2>}	122.2110	0.000	1	122.2110	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	122.0500	0.000	1	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>,2|C<3>}	122.6360	0.092	2	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.9585	0.223	2	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>,2|C<3>}	122.3300	0.000	1	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.1934	0.643	5	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	122.3150	0.621	2	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|N<2>}	122.6050	0.000	1	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.3357	1.005	236	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3038	0.307	4	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	121.8938	0.343	13	122.3252	0.938	267	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	123.2305	0.047	2	123.2305	0.002	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.9560	0.279	2	122.9560	0.078	2	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	122.3098	0.250	5	122.3098	0.062	5	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|P<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.4800	0.000	1	123.4800	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a,6a]O[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.9540	0.000	1	122.9540	0.000	1	122.3984	0.861	497	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a]){1|N<3>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	124.1410	0.000	1	124.1410	0.000	1	124.1410	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[5,6a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5]){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.6998	1.587	5	122.6998	2.518	5	122.6998	2.518	5	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[5a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[5a,6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	122.9575	0.487	2	122.9575	0.237	2	122.9575	0.237	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6,6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	122.2650	0.266	2	122.2650	0.071	2	122.4386	0.308	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6]){1|Br<1>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|C<3>}	121.9335	0.282	2	121.9335	0.080	2	122.4386	0.308	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6,6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,2|C<3>}	122.6040	0.130	2	122.6040	0.017	2	122.4386	0.308	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4650	0.000	1	123.4650	0.000	1	122.4386	0.308	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|S<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S){1|H<1>,1|N<2>,3|C<3>}	120.1700	0.000	1	120.1700	0.000	1	120.8380	0.892	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)2{1|H<1>,4|C<3>}	121.5060	0.000	1	121.5060	0.000	1	120.8380	0.892	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C)	C[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	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[6a,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	123.6170	0.000	1	123.6170	0.000	1	123.6170	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	121.5830	0.000	1	121.5830	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|H<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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	125.2590	0.000	1	125.2590	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a,6a](C[5,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	123.0260	0.000	1	123.0260	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.7260	0.102	2	122.9180	0.054	4	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.0570	0.000	1	122.9180	0.054	4	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.1630	0.000	1	122.9180	0.054	4	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.1920	0.000	1	124.1920	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	123.4150	0.000	1	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.8300	0.000	1	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.8930	0.000	1	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.4310	0.000	1	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	123.8460	0.000	1	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.9447	0.553	3	123.6561	0.231	8	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.3090	0.000	1	123.3090	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.6920	0.000	1	123.6920	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	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[6a,6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.9160	0.000	1	123.9160	0.000	1	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	124.0835	0.066	2	124.0835	0.004	2	123.5269	0.586	21	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]){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,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,4|C<3>}	123.5460	0.000	1	123.5460	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1050	0.000	1	123.1050	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.9030	0.000	1	123.9030	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,2|N<2>}	125.0910	0.000	1	125.0910	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.8490	0.000	1	121.8490	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	123.3710	0.198	7	123.4520	0.086	8	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	124.0190	0.000	1	123.4520	0.086	8	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0460	0.000	1	123.0460	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.1930	0.000	1	123.1930	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[3])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|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[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.9260	0.000	1	123.9260	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[5a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	123.8280	0.000	1	123.8280	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.1415	0.064	2	124.5710	0.555	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	125.4300	0.000	1	124.5710	0.555	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.7180	0.000	1	123.7180	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	124.2160	0.000	1	124.2160	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	122.9180	0.000	1	122.9180	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	123.5257	0.303	3	123.5257	0.092	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.2670	0.000	1	123.8253	0.674	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	124.7680	0.000	1	123.8253	0.674	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.4410	0.000	1	123.8253	0.674	3	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	124.0085	0.176	2	123.8725	0.098	4	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|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[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.7365	0.433	2	123.8725	0.098	4	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	124.9420	0.359	5	124.9420	0.129	5	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.6420	0.000	1	123.6420	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	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[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	124.3110	0.000	1	124.3110	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	121.7480	0.000	1	121.7480	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	122.8505	0.107	2	122.8505	0.011	2	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0120	0.000	1	123.0120	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.7875	0.052	2	122.7875	0.003	2	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	123.3750	0.000	1	123.3750	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.8170	0.000	1	119.8170	0.000	1	123.5863	0.952	49	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	122.8920	0.000	1	122.8920	0.000	1	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|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[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.2450	0.000	1	122.2450	0.000	1	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.0565	0.049	2	123.0565	0.002	2	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]S[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	122.8987	0.354	4	122.8987	0.126	4	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.3865	0.241	2	122.5100	0.075	3	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.7570	0.000	1	122.5100	0.075	3	122.7772	0.117	12	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[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[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]N[6a]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[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[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	123.8550	0.000	1	123.8550	0.000	1	124.2430	0.301	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[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[6a]-3:	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	124.6310	0.000	1	124.6310	0.000	1	124.2430	0.301	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a]){2|C<4>,4|C<3>,4|H<1>}	123.1390	0.000	1	123.1390	0.000	1	123.1450	0.555	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a]){2|C<4>,4|C<3>,4|H<1>}	123.1470	0.912	3	123.1470	0.833	3	123.1450	0.555	4	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]C[6a]N[6a]){3|H<1>,6|C<3>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1040	0.000	1	123.1040	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.0450	0.000	1	123.0450	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	122.3200	0.000	1	122.3200	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){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[6a,6a]N){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.0480	0.000	1	122.0480	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	123.1950	0.085	2	123.1950	0.007	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.5470	0.000	1	122.2522	0.079	9	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1708	0.279	6	122.2522	0.079	9	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3490	0.310	2	122.2522	0.079	9	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1000	0.000	1	123.0438	0.179	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1457	0.526	3	123.0438	0.179	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	122.6820	0.000	1	123.0438	0.179	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3460	0.000	1	122.3460	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.8080	0.000	1	122.8080	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.9565	0.148	2	123.0227	0.054	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	123.2640	0.000	1	123.0227	0.054	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	122.6410	0.000	1	123.0227	0.054	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.1570	0.000	1	123.0227	0.054	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1610	0.000	1	123.0227	0.054	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.2340	0.000	1	122.2340	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.9810	0.000	1	123.9810	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5545	0.157	4	122.5545	0.025	4	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9374	1.004	12	121.9374	1.008	12	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6]){2|C<4>,3|H<1>,4|C<3>}	123.4865	0.175	2	123.4865	0.031	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	123.5330	0.250	2	123.5330	0.063	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.2363	0.265	6	123.2363	0.070	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.7362	0.243	6	122.7362	0.059	6	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.1865	0.029	2	123.1865	0.001	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1930	0.000	1	122.5264	0.137	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4980	0.315	2	122.5264	0.137	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	123.0810	0.000	1	122.5264	0.137	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3620	0.000	1	122.5264	0.137	5	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.7293	0.127	3	121.7293	0.016	3	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.1480	0.000	1	124.1480	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5]){1|C<4>,3|H<1>,5|C<3>}	124.8400	0.000	1	124.8400	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4070	0.000	1	122.8815	0.450	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.3560	0.000	1	122.8815	0.450	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.8920	0.303	2	123.8920	0.092	2	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.9630	0.000	1	123.9630	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.6030	0.000	1	123.6030	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.2193	1.105	20	122.3100	1.194	22	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	123.3730	0.000	1	122.3100	1.194	22	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0600	0.000	1	122.3100	1.194	22	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.2289	0.507	7	121.2289	0.257	7	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,5|C<3>}	124.0960	0.000	1	124.0960	0.000	1	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.3255	0.209	4	123.3255	0.044	4	122.5986	0.838	115	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.7480	0.000	1	122.7480	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.0996	0.710	12	122.0996	0.504	12	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.7400	0.631	2	122.7400	0.398	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]F)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,3|C<3>}	122.9798	1.293	9	122.9798	1.671	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	123.0465	0.124	2	123.0465	0.015	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]S)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|H<1>,1|S<2>,3|C<3>}	121.9327	1.343	4	121.9327	1.803	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	120.6360	0.000	1	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.1910	0.000	1	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.6240	0.445	2	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>}	122.3295	0.268	2	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	120.7840	0.250	2	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	122.5535	0.717	4	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.3580	1.130	2	121.8023	0.770	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|H<1>}	121.2765	0.315	2	121.2765	0.099	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	122.4770	0.000	1	122.4770	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|H<1>}	122.8140	0.000	1	122.7960	0.057	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|Br<1>,3|C<3>}	122.7900	0.291	3	122.7960	0.057	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	123.0440	0.000	1	122.6975	0.433	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	121.8500	0.000	1	122.6975	0.433	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|Br<1>,1|H<1>,2|C<3>}	123.7680	0.000	1	122.6975	0.433	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|Br<1>,3|C<3>}	122.5165	0.268	2	122.6975	0.433	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|Br<1>,2|C<3>}	122.4900	0.000	1	122.6975	0.433	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.6330	0.000	1	122.6330	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.4360	0.069	2	123.1577	0.235	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.6010	0.000	1	123.1577	0.235	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,1|H<1>,4|C<3>}	123.0473	0.267	6	123.0473	0.071	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.3770	0.000	1	122.3770	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>}	122.5800	0.000	1	122.5800	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.1990	0.000	1	122.6640	0.172	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.8965	0.139	2	122.6640	0.172	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4760	0.000	1	122.4760	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.6691	0.491	8	122.7837	0.143	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.8670	0.264	11	122.7837	0.143	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.8585	0.074	2	122.8585	0.006	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	123.4400	0.000	1	123.4400	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.0442	0.200	5	122.5150	0.916	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|H<1>}	123.7710	0.000	1	122.5150	0.916	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.5395	0.658	4	122.5150	0.916	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.4585	0.616	2	121.4585	0.379	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.1070	1.554	2	122.1070	2.416	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	120.7720	0.000	1	121.3831	0.102	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.5345	0.270	6	121.3831	0.102	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	121.3407	0.268	7	121.3831	0.102	14	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.2470	0.000	1	122.2470	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	121.7690	0.000	1	121.7690	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.3630	0.160	2	123.3630	0.026	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	123.5570	0.285	3	123.5570	0.081	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.6035	0.087	2	122.6035	0.008	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,3|C<3>}	122.3817	0.636	4	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.2470	1.202	2	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	122.6290	0.000	1	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	122.4970	0.000	1	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.3961	0.944	13	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	125.1203	1.036	3	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.5850	0.000	2	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.8581	0.438	8	122.4615	1.294	34	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.4510	0.000	1	123.4510	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,3|C<3>}	123.0420	0.000	1	123.0420	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<4>,2|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2{1|C<4>,2|C<3>,2|H<1>}	123.5590	1.826	2	123.5590	3.333	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	121.2265	0.245	2	121.2265	0.060	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){1|C<4>,2|C<3>}	122.2140	0.000	1	122.2140	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	121.4490	0.255	2	121.4490	0.065	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	119.9640	0.000	1	119.9640	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,5|C<3>}	121.4700	0.000	1	121.4700	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,2|C<3>,2|C<4>}	121.7890	0.000	1	121.7890	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.2680	0.000	1	121.3351	0.798	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ir<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	120.6787	1.037	3	121.3351	0.798	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Rh<9>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.5387	0.961	3	121.3351	0.798	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<10>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.5480	0.075	2	121.3351	0.798	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	120.8010	0.000	1	121.3375	0.576	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){2|C<3>,2|N<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.8740	0.000	1	121.3375	0.576	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.0620	0.000	1	122.0620	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>}	123.1905	0.025	2	123.1905	0.001	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,4|C<3>}	123.5030	0.000	1	123.5030	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|Cl<1>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|F<1>}	121.9160	0.000	1	121.9160	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){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[6a]N[6a]){1|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|F<1>,1|H<1>,2|C<3>}	123.1690	0.000	1	123.1690	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){1|C<2>,1|F<1>,2|C<3>}	123.0940	0.000	1	123.0940	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ga)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Ga<4>,2|C<3>,2|H<1>}	122.4960	0.605	3	122.4960	0.366	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2321	0.432	8	122.2321	0.186	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.9860	0.000	1	123.9860	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.7600	0.000	1	122.6686	0.121	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2410	0.000	1	122.6686	0.121	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.3453	0.095	3	122.6686	0.121	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	123.0090	0.365	2	122.6686	0.121	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.8770	0.186	3	122.6686	0.121	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.4255	0.033	2	122.4882	0.009	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.4760	0.000	1	122.4882	0.009	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.6260	0.000	1	122.4882	0.009	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	122.3740	0.000	1	122.3740	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	124.0450	0.000	1	124.0450	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.6935	0.312	2	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	122.2930	0.000	1	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	122.8810	0.048	2	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	122.4825	0.378	2	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,4|C<3>}	122.5845	0.201	4	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	122.3330	0.125	3	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	123.7500	0.000	1	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.7277	0.317	3	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	123.0058	0.982	4	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5695	0.257	2	122.8266	0.375	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	123.8680	0.000	1	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.7640	0.255	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	123.1290	0.000	1	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.1130	0.126	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.9550	0.247	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.1991	0.479	7	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.5965	0.237	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	123.0590	0.000	1	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	122.9340	0.000	1	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.5737	0.128	3	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.1615	0.310	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.0660	0.156	2	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	122.4430	0.000	1	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.1386	0.553	14	123.0927	0.247	41	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	123.5930	0.000	1	123.5930	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	124.1800	0.000	1	124.1800	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	123.6490	0.000	1	123.6490	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	123.3220	0.000	1	123.3220	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.7540	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.6880	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|H<1>}	122.3100	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.8680	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.5060	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.7010	0.105	2	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	122.0670	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	122.3410	0.014	2	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	122.3760	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	122.6080	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.6895	0.312	2	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.0147	0.362	3	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.7530	0.382	2	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.5373	0.211	6	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2073	0.194	4	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.5520	0.000	1	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2520	0.085	3	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.8373	0.473	3	122.4184	0.135	36	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	123.4960	0.000	1	123.4960	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	122.6715	0.340	2	122.6715	0.116	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	123.8520	0.000	1	123.8520	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	122.6630	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	122.0860	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	122.9356	0.236	14	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	123.3850	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8825	0.235	10	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.2170	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	122.8300	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.0230	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	123.4110	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.3400	0.000	1	122.9337	0.088	32	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.3570	0.000	1	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.6790	0.000	1	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8995	0.296	8	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.5795	0.367	2	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.7480	0.027	2	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.7555	1.129	11	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<6>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6360	0.000	1	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6500	0.000	1	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8855	0.287	6	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.2055	2.244	2	122.4631	0.850	35	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	123.0640	0.000	1	123.0640	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]C){2|C<3>,3|H<1>}	124.0960	0.000	1	124.0960	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.8180	0.000	1	123.3327	0.208	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.6870	0.000	1	123.3327	0.208	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.4930	0.000	1	123.3327	0.208	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	123.4900	0.000	1	123.0621	0.393	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	122.9170	0.262	2	123.0621	0.393	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	122.6427	0.375	3	123.0621	0.393	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	124.1830	0.000	1	123.0621	0.393	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	122.8340	0.000	1	122.8340	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,3|H<1>}	123.0100	0.000	1	123.0100	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.3104	0.273	5	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|P<4>,2|C<3>}	121.9700	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.8050	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.6410	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.3990	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|H<1>}	122.3760	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.0570	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.0834	0.346	8	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.3511	0.413	57	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.4230	0.308	2	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	121.9530	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>}	123.3180	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	123.9310	1.237	2	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.9310	0.581	2	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	121.8550	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.7050	0.400	2	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2586	0.414	93	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.7930	0.000	1	122.3449	0.233	181	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.8210	0.000	1	123.8210	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4075	0.740	2	122.4075	0.548	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	124.4280	0.000	1	124.4280	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.1630	0.000	1	122.1630	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.4020	0.000	1	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.3650	0.037	2	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	123.0655	0.339	6	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.4440	0.000	1	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	120.5525	0.559	2	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.1660	0.000	1	122.4031	0.869	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.0425	0.193	2	123.2100	0.050	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.3775	0.026	2	123.2100	0.050	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<3>,3|H<1>}	123.6280	0.000	1	123.6280	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.7830	0.006	2	122.3870	0.214	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.9910	0.124	2	122.3870	0.214	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	122.3850	0.000	1	122.3850	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	122.5900	0.000	1	122.5900	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.6950	0.000	1	122.6950	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.8610	0.000	1	122.8415	0.034	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.5870	0.000	1	122.8415	0.034	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.9590	0.103	2	122.8415	0.034	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	123.2290	0.000	1	122.7625	0.435	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	122.2960	0.000	1	122.7625	0.435	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	122.2870	0.267	2	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.9320	0.000	1	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.4270	0.000	1	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.0836	0.494	5	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.7489	0.445	20	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	121.8024	0.297	9	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.8677	0.519	6	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.3033	0.244	3	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.5966	0.356	7	121.8304	0.186	54	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.8515	0.491	19	122.8515	0.241	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0680	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	122.8250	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.4390	0.335	5	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	122.1360	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	123.1460	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	123.1025	0.274	2	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.2732	0.482	5	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	122.2650	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.1630	0.000	1	122.5205	0.223	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.7050	0.000	1	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.3205	0.604	4	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.4875	0.204	2	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.3458	0.373	34	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.8728	0.945	36	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.0050	0.000	1	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5138	1.075	22	122.9345	0.749	100	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[4])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.8610	0.000	1	122.8610	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.4400	0.000	1	124.4400	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	124.4410	0.000	1	123.0723	0.747	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	122.8810	0.000	1	123.0723	0.747	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	123.3520	0.000	1	123.0723	0.747	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5867	0.721	3	123.0723	0.747	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.2380	0.000	1	123.0022	1.560	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	123.2440	0.000	1	123.0022	1.560	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	120.9530	0.000	1	123.0022	1.560	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.7880	0.832	2	123.0022	1.560	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|H<1>}	122.9290	0.000	1	122.9290	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	123.4590	0.000	1	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	122.0970	2.738	2	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	124.0960	0.000	1	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	123.6192	0.307	41	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	123.8010	0.000	1	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	123.4379	0.501	7	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	121.8945	0.497	2	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	123.4377	1.004	3	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	122.1926	0.439	5	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	122.1930	0.553	2	123.3454	0.573	65	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	122.9150	0.477	8	122.1581	1.111	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<2>,2|C<3>,2|H<1>}	122.5430	0.063	3	122.1581	1.111	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	121.6628	1.300	4	122.1581	1.111	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	120.8510	0.400	4	122.1581	1.111	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<3>,3|H<1>}	123.1420	0.249	6	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<3>,3|H<1>}	123.1383	0.196	3	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|H<1>}	123.0770	0.033	2	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|H<1>}	123.2550	0.000	1	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|S<2>,2|C<3>,2|H<1>}	122.5435	0.190	2	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,2|C<3>,2|H<1>}	124.0970	0.000	1	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<3>,3|H<1>}	123.3462	0.174	4	123.1708	0.129	19	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2210	0.000	1	121.2210	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|H<1>}	122.2110	0.000	1	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	121.8007	0.358	3	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.7873	0.438	3	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	121.8110	0.000	1	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.5240	0.684	14	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	121.8620	0.064	2	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	121.5959	0.800	14	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.1600	0.495	2	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	121.8090	0.000	1	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5397	0.597	8	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.5012	0.396	4	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.4994	1.653	37	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.3888	0.308	4	121.7412	1.395	94	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	124.1790	0.000	1	124.1790	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.5740	0.000	2	123.3085	0.232	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	123.5442	0.362	6	123.3085	0.232	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	123.4300	0.000	1	123.3085	0.232	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.2420	0.000	1	123.3085	0.232	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.7590	0.000	1	122.5340	0.101	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3090	0.000	1	122.5340	0.101	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	122.1070	0.000	1	122.1070	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,3|C<3>}	122.6333	0.223	3	122.6333	0.050	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	123.5290	0.000	1	123.7945	0.141	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.0600	0.000	1	123.7945	0.141	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9320	0.000	1	122.9320	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.1650	0.000	1	123.9365	0.104	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.7080	0.000	1	123.9365	0.104	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5490	0.000	1	122.5490	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.2150	0.000	1	122.2591	0.834	12	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	122.3890	0.000	1	122.2591	0.834	12	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.2505	1.008	10	122.2591	0.834	12	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.7690	0.000	1	122.2925	0.454	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.8160	0.000	1	122.2925	0.454	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.0500	0.000	1	121.7490	0.482	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.0985	0.480	2	121.7490	0.482	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.0950	0.000	1	124.0950	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.1050	0.000	1	122.4995	0.311	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|H<1>}	122.8940	0.000	1	122.4995	0.311	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.6490	0.000	1	122.6490	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,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[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){2|C<3>,2|H<1>}	121.5235	0.022	2	121.5235	0.000	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	121.7100	0.000	1	121.6843	0.004	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	121.6800	0.064	6	121.6843	0.004	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	121.2460	0.000	1	121.2176	0.110	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	121.2105	0.383	4	121.2176	0.110	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	122.4500	0.311	3	122.4500	0.097	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	122.5640	0.000	1	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	121.8980	0.214	2	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.9472	0.276	5	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.6754	0.468	5	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.4985	0.463	2	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.7100	0.195	3	122.3667	0.220	18	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,2|H<1>}	122.0860	0.000	1	122.0860	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	121.9590	0.000	1	121.7776	0.159	17	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	122.2820	0.000	1	121.7776	0.159	17	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	121.9810	0.000	1	121.7776	0.159	17	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7141	0.408	14	121.7776	0.159	17	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Pd)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,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[6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Pd)(C[6a]N[6a]N){2|C<3>,2|H<1>}	120.8420	0.000	1	120.8420	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.4340	0.000	1	122.4340	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	122.8103	0.280	3	122.7404	0.053	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	122.5360	0.000	1	122.7404	0.053	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.7350	0.000	1	122.7404	0.053	5	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.5190	0.088	2	123.0818	0.227	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	123.0620	0.000	1	123.0818	0.227	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	123.4637	0.167	3	123.0818	0.227	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	122.6048	1.465	12	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.1370	0.000	1	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	121.8745	0.254	2	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.5700	0.000	1	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,3|C<3>}	122.1965	0.404	2	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	123.1830	0.605	2	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.2385	0.545	4	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.4240	0.000	1	122.4740	1.147	25	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	122.2350	0.190	2	122.0055	0.128	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|H<1>,1|O<2>,2|C<3>}	122.0030	0.000	1	122.0055	0.128	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	121.9142	0.423	5	122.0055	0.128	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|P<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.3960	0.000	1	121.3960	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	123.0490	0.000	1	123.0155	0.002	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.9820	0.000	1	123.0155	0.002	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	122.8130	0.000	1	122.8130	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	122.4720	0.000	1	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>}	122.1790	0.000	1	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.6510	0.000	1	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.5980	0.124	2	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.6605	0.175	2	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.3700	0.000	1	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	122.1150	0.000	1	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	121.9990	0.068	2	122.3911	0.078	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Se<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.9140	0.000	1	122.9140	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]O){2|H<1>,3|C<3>}	121.9100	0.000	1	121.9100	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	123.1500	0.000	1	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.0620	0.473	5	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	121.9940	0.779	3	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.5175	0.492	21	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.0730	0.772	9	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.2673	0.224	3	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.7925	0.141	2	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.5250	0.841	2	122.3131	0.353	46	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,2|H<1>}	121.4650	0.000	1	121.4650	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]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,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.4395	0.063	2	121.4395	0.004	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.9840	0.000	1	122.4755	0.517	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	121.9670	0.000	1	122.4755	0.517	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	121.4850	0.000	1	121.6335	0.044	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	121.7820	0.000	1	121.6335	0.044	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.3480	0.000	1	122.3480	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|O<2>,2|C<3>}	121.6250	0.000	1	121.6250	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.6590	0.000	1	121.6590	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	120.7930	0.000	1	120.7930	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	121.5252	0.661	22	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|I<1>,2|C<3>}	122.4270	0.000	1	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	121.5090	0.000	1	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	121.9177	0.418	3	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	122.6430	0.000	1	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	120.7670	0.000	1	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	122.5320	0.000	1	121.6395	0.456	30	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	121.9420	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.5680	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	121.8870	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>}	121.6110	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5490	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.3705	0.239	13	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|S<4>,2|C<3>,2|H<1>}	122.3710	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.0737	0.405	9	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	122.8250	0.000	1	122.2494	0.130	29	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.3170	0.000	1	121.3170	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.6500	0.000	1	121.6500	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4980	0.000	1	121.8305	0.221	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	122.1630	0.000	1	121.8305	0.221	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	121.6280	0.000	1	121.6280	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.5017	0.423	7	122.6465	0.161	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.8300	0.000	1	122.6465	0.161	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.6645	0.188	4	122.6465	0.161	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	123.4050	0.000	1	122.6465	0.161	13	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.4390	0.000	1	122.4390	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.1670	0.972	2	122.1670	0.944	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	122.2370	0.000	1	122.2600	0.001	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.2830	0.000	1	122.2600	0.001	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	121.9050	0.000	1	121.6046	0.434	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	121.6945	0.354	2	121.6046	0.434	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|H<1>,3|C<3>}	121.2910	0.000	1	121.6046	0.434	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){1|H<1>,1|O<2>,2|C<3>}	122.1850	0.000	1	121.6046	0.434	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	121.2310	1.287	2	121.6046	0.434	7	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]O[6a]O){2|C<3>,2|H<1>}	121.9150	0.000	1	121.9150	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]S[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]S[6a]O){2|C<3>,2|H<1>}	125.9880	0.000	1	125.9880	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|H<1>}	122.4780	0.000	1	122.4780	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>}	122.4220	0.000	1	122.4220	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.1720	0.000	1	123.1720	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.2860	0.000	1	123.2860	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	123.4625	0.405	2	123.4625	0.164	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.5105	0.632	4	122.8258	0.488	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.4565	0.224	2	122.8258	0.488	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	124.1220	0.000	1	124.1220	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	123.7550	0.563	2	123.2416	0.476	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	123.0949	0.685	7	123.2416	0.476	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.8255	0.474	2	123.3875	0.596	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.9748	0.621	6	123.3875	0.596	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	124.1875	0.725	2	123.3875	0.596	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.1180	1.295	2	123.1180	1.678	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.0790	0.000	1	122.7885	0.310	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.9447	0.472	6	122.7885	0.310	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.4815	0.677	4	122.7885	0.310	11	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.3830	0.371	6	123.4212	0.115	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.4977	0.322	3	123.4212	0.115	9	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	122.8580	0.000	1	122.8580	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|F<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.9585	0.640	2	121.9585	0.410	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|I<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|C<3>,2|H<1>}	122.2210	0.000	1	122.2210	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	122.1320	0.000	1	122.5803	0.151	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	122.8010	0.000	1	122.5803	0.151	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	122.8080	0.000	1	122.5803	0.151	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.9950	0.000	1	122.5572	0.367	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	122.5186	0.358	7	122.5572	0.367	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>}	121.3980	0.000	1	122.5572	0.367	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|N<3>,3|C<3>}	123.5490	0.000	1	122.5572	0.367	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	123.0630	0.314	2	123.0630	0.099	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	122.5010	0.283	2	122.8473	0.118	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	123.0205	0.223	4	122.8473	0.118	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.7940	0.000	1	122.9557	0.461	211	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	123.0695	0.840	11	122.9557	0.461	211	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.9440	0.671	198	122.9557	0.461	211	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<4>,2|C<3>,2|H<1>}	123.1790	0.000	1	122.9557	0.461	211	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	122.7940	0.000	1	122.8167	0.036	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.8280	0.267	2	122.8167	0.036	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.7135	0.059	2	123.7135	0.003	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,2|H<1>}	123.0600	0.000	1	123.0600	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|N<3>}	124.0440	0.000	1	124.0440	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,1|I<1>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,2|C<3>,2|H<1>}	122.4005	0.183	2	122.4005	0.034	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.6707	0.169	6	122.6707	0.028	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.6814	0.510	9	122.8050	0.148	21	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.8976	0.239	12	122.8050	0.148	21	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|In<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	121.6910	0.707	4	122.1388	0.786	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|S<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.0345	0.151	2	122.1388	0.786	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.4720	0.000	1	122.4720	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.0100	0.000	1	122.6045	0.666	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.8027	0.874	3	122.6045	0.666	4	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.4313	0.140	3	124.4313	0.020	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.9390	0.000	1	121.9390	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	124.1180	0.000	1	124.1180	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.1466	0.504	19	123.3489	0.426	45	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.4967	0.716	26	123.3489	0.426	45	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	124.5250	0.098	2	124.5250	0.010	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.1505	0.315	2	123.1505	0.099	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7950	0.322	2	121.7660	0.055	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	121.7080	0.000	1	121.7660	0.055	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5480	0.000	1	121.9345	0.299	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.3210	0.000	1	121.9345	0.299	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.2930	0.000	1	123.2930	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.7190	0.000	1	122.9380	0.749	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.7818	0.868	5	122.9380	0.749	6	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.0010	0.000	1	123.5854	0.110	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.6260	0.314	4	123.5854	0.110	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.7260	0.178	3	123.5854	0.110	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.6580	0.426	2	122.6580	0.181	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.6743	0.722	4	122.4801	0.307	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.5550	0.000	1	122.4801	0.307	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	122.1963	0.310	3	122.4801	0.307	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,2|H<1>,2|I<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<2>,2|C<3>,2|H<1>}	121.8790	0.000	1	121.8790	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,2|H<1>}	123.3960	0.127	2	123.3960	0.016	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|O<2>,2|C<3>,2|H<1>}	123.8260	0.000	1	123.8260	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|H<1>}	123.5123	0.106	3	123.1076	0.337	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|H<1>}	122.8648	0.622	5	123.1076	0.337	8	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	121.8750	0.000	1	122.6598	0.526	97	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.6260	0.000	1	122.6598	0.526	97	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.3560	0.000	1	122.6598	0.526	97	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	122.6641	0.732	93	122.6598	0.526	97	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.3810	0.000	1	122.6598	0.526	97	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>}	123.4415	0.301	10	123.4415	0.091	10	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	123.8127	0.181	3	123.8127	0.033	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|F<1>,1|O<2>,2|C<3>}	121.2590	0.000	1	121.2590	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>}	123.0360	0.281	3	123.0360	0.079	3	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|H<1>}	122.6450	0.000	1	122.6450	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.9780	0.000	1	122.6779	0.223	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	122.2190	0.648	2	122.6779	0.223	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>}	122.6612	0.416	20	122.6779	0.223	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|S<3>,3|C<3>}	123.6300	0.000	1	122.6779	0.223	24	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|H<1>}	120.2305	0.426	2	120.2305	0.182	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(N[6a]C[6a]){1|Si<4>,1|B<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	122.9920	0.000	1	122.9920	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.3080	0.000	1	123.3080	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	124.3810	0.000	1	124.3810	0.000	1	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	124.4920	0.245	2	124.4920	0.060	2	122.6006	0.739	1921	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,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>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	121.6650	0.000	1	121.6650	0.000	1	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,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[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.3170	0.000	1	121.9327	0.180	4	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,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>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.1660	0.168	2	121.9327	0.180	4	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.0820	0.000	1	121.9327	0.180	4	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.0280	0.000	1	122.1006	0.177	18	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.0461	0.362	17	122.1006	0.177	18	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.8403	0.155	3	122.1046	0.037	20	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.0370	0.066	2	122.1046	0.037	20	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.1665	0.165	15	122.1046	0.037	20	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	121.2053	0.217	3	121.0912	0.038	9	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	120.9680	0.000	1	121.0912	0.038	9	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	121.0474	0.191	5	121.0912	0.038	9	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	122.5260	0.000	1	122.2537	0.079	3	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.1175	0.214	2	122.2537	0.079	3	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	122.0010	0.000	1	122.0010	0.000	1	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.1040	0.076	2	122.1040	0.006	2	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	121.2590	0.000	1	121.2590	0.000	1	121.9212	0.226	59	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.9890	0.000	1	123.9890	0.000	1	123.9890	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]C[6a])(N[6a]C[6a]){1|H<1>,2|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|N<3>,5|C<3>}	119.9865	0.067	2	119.9865	0.005	2	121.1504	1.528	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	120.9390	1.336	2	120.9250	0.894	3	121.1504	1.528	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	120.8970	0.000	1	120.9250	0.894	3	121.1504	1.528	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	122.6120	0.000	1	122.6120	0.000	1	121.1504	1.528	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(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,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	122.6930	0.000	1	122.6930	0.000	1	121.1504	1.528	7	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	122.7270	0.000	1	123.4103	0.815	3	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.0700	0.000	1	123.4103	0.815	3	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|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<2>,1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	124.4340	0.000	1	123.4103	0.815	3	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.5410	0.000	1	123.6575	0.027	2	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.7740	0.000	1	123.6575	0.027	2	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.4780	0.000	1	123.3643	0.730	9	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.7160	0.396	2	123.3643	0.730	9	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.5690	0.000	1	123.3643	0.730	9	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.7600	0.480	5	123.3643	0.730	9	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.2050	0.000	1	124.1126	0.940	5	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	124.9455	0.513	2	124.1126	0.940	5	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	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[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.2335	0.745	2	124.1126	0.940	5	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(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,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	125.1180	0.000	1	125.1180	0.000	1	123.6753	0.809	20	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	123.3580	0.000	1	123.3580	0.000	1	123.2715	0.015	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	123.1850	0.000	1	123.1850	0.000	1	123.2715	0.015	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<6>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.1710	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a]){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	125.7240	0.000	1	125.7240	0.000	1	125.7240	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	125.0430	0.000	1	125.0430	0.000	1	125.0430	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]N[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,3|C<3>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a,6a]N[6a]2){3|H<1>,6|C<3>}	124.8775	0.648	2	124.8775	0.420	2	124.8967	0.211	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a,6a]N[6a]2){3|H<1>,6|C<3>}	124.9350	0.000	1	124.9350	0.000	1	124.8967	0.211	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.3850	0.000	1	124.3850	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	124.8870	0.000	1	124.8870	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	123.4860	0.000	1	123.4860	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	124.9390	0.000	1	124.9390	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	124.4013	0.209	9	124.4013	0.044	9	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.5170	0.000	1	124.5170	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	123.3700	0.276	4	123.3700	0.076	4	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.5345	0.060	2	123.5345	0.004	2	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.9813	0.239	4	122.9813	0.057	4	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,2|C<4>,4|C<3>}	124.9260	0.000	1	124.9260	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|F<1>,3|C<3>}	124.4270	0.074	2	124.4270	0.005	2	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|N<2>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	123.6705	0.148	2	123.6705	0.022	2	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,3|C<3>}	123.3420	0.000	1	123.3420	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,3|C<3>}	123.5044	0.287	8	123.5044	0.082	8	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	122.7660	0.000	1	122.7660	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	126.2423	0.320	3	126.2423	0.103	3	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	123.2810	0.000	1	123.2810	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	125.2790	0.000	1	125.2790	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>}	123.8550	0.000	1	124.2683	0.482	3	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	124.4750	0.841	2	124.2683	0.482	3	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	125.3580	0.000	1	125.3580	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	123.3430	0.000	1	123.3430	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	124.4550	0.000	1	124.4550	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	124.3025	0.466	4	124.3025	0.217	4	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,2|C<3>}	124.6710	0.000	1	124.6710	0.000	1	124.0853	0.720	55	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	123.9605	0.129	2	123.9605	0.017	2	123.9605	0.017	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.0695	0.162	2	122.0695	0.026	2	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,3|C<3>}	122.1715	0.033	2	122.2025	0.014	6	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	122.2115	0.240	2	122.2025	0.014	6	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[5a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	122.2245	0.087	2	122.2025	0.014	6	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	123.0305	0.251	2	123.0305	0.063	2	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a,6a]Br)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,3|C<3>}	122.0940	0.000	1	122.0940	0.000	1	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a,6a]Cl)(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	122.9150	0.160	2	122.9150	0.026	2	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	123.1195	0.234	2	123.1195	0.055	2	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	123.2100	0.000	1	123.2100	0.000	1	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[6a]N[6a])(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[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.5130	0.000	1	122.8479	0.111	18	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	122.8676	0.332	17	122.8479	0.111	18	122.7074	0.184	34	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[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]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	127.1030	0.000	1	127.1030	0.000	1	126.1703	1.065	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[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]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	126.3460	0.000	1	125.7040	0.824	2	126.1703	1.065	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[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]N[5,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	125.0620	0.000	1	125.7040	0.824	2	126.1703	1.065	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|C<4>,4|C<3>}	125.3750	0.126	2	125.3750	0.016	2	125.4867	0.045	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,4|C<3>}	125.7100	0.000	1	125.7100	0.000	1	125.4867	0.045	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.4430	0.000	1	126.4430	0.000	1	125.6000	0.532	9	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.9412	0.279	4	125.5063	0.575	7	125.6000	0.532	9	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.2597	0.345	3	125.5063	0.575	7	125.6000	0.532	9	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	125.4130	0.000	1	125.4130	0.000	1	125.6000	0.532	9	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]Cl)2{1|Cl<1>,1|H<1>,3|C<3>}	125.3025	0.288	2	125.3025	0.083	2	125.3025	0.083	2	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.6760	0.000	1	124.6760	0.000	1	124.6373	0.275	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){5|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){5|C<3>}	124.6180	0.740	2	124.6180	0.547	2	124.6373	0.275	3	122.6758	0.948	3212	122.2347	1.315	6386	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:2:	3:4:3:	C[6,6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6,6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	124.6612	0.443	13	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6,6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	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[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	124.5770	0.221	2	124.5770	0.049	2	124.8019	0.203	12	124.6612	0.443	13	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	124.9695	0.442	8	124.8777	0.247	9	124.8019	0.203	12	124.6612	0.443	13	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	124.1430	0.000	1	124.8777	0.247	9	124.8019	0.203	12	124.6612	0.443	13	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[4,6,6])(N[6a]C[6a])(H){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	124.5700	0.000	1	124.5700	0.000	1	124.8019	0.203	12	124.6612	0.443	13	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:2:2:	3:2:	3:4:3:	C[6,6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	122.9265	0.279	2	122.9265	0.078	2	122.9265	0.078	2	122.9265	0.078	2	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:3:2:	3:2:	3:4:3:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	122.0770	0.000	1	122.0540	0.001	2	121.7847	0.218	3	121.7847	0.218	3	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:3:2:	3:2:	3:4:3:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	122.0310	0.000	1	122.0540	0.001	2	121.7847	0.218	3	121.7847	0.218	3	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6,6a]	3:3:2:	3:2:	3:4:3:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,1|F<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	121.2460	0.000	1	121.2460	0.000	1	121.7847	0.218	3	121.7847	0.218	3	124.0020	1.589	19	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:2:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.4525	0.006	2	122.4525	0.000	2	122.4525	0.000	2	122.4525	0.000	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:2:	3:4:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|C<4>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,4|C<3>}	123.9365	0.244	2	123.9365	0.060	2	124.3707	0.595	3	124.1638	0.415	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6a]N[6a]H)(S[6]C[6,6a]){4|C<3>}	125.2390	0.000	1	125.2390	0.000	1	124.3707	0.595	3	124.1638	0.415	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)(S[6]S[6]){1|H<1>,3|C<3>}	123.5800	0.000	1	123.5800	0.000	1	123.8535	0.150	2	124.1638	0.415	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	124.1270	0.000	1	124.1270	0.000	1	123.8535	0.150	2	124.1638	0.415	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	125.2460	0.000	1	125.2460	0.000	1	125.6645	0.350	2	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	126.0830	0.000	1	126.0830	0.000	1	125.6645	0.350	2	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.8050	0.000	1	124.8074	0.152	5	124.8074	0.152	5	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.8080	0.450	4	124.8074	0.152	5	124.8074	0.152	5	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	124.1460	0.000	1	124.1460	0.000	1	124.1460	0.000	1	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H){5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O){1|C<4>,4|C<3>}	124.3360	0.000	1	124.3360	0.000	1	124.3360	0.000	1	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)2	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]H)2{3|C<3>}	C[6,6a](C[6,6,6a]N[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]H){1|H<1>,6|C<3>}	124.8245	0.616	2	124.8245	0.379	2	124.8245	0.379	2	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H){1|H<1>,6|C<3>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.5163	0.413	3	123.5163	0.170	3	123.9296	0.208	8	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	124.6300	0.000	1	124.6300	0.000	1	123.9296	0.208	8	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	123.9700	0.000	2	123.9700	0.000	2	123.9296	0.208	8	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|O<2>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O){2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C){3|C<3>}	124.1280	0.000	1	124.1280	0.000	1	123.9296	0.208	8	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>}	124.1900	0.000	1	124.1900	0.000	1	123.9296	0.208	8	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.8530	0.000	1	123.8530	0.000	1	124.0125	0.051	2	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	124.1720	0.000	1	124.1720	0.000	1	124.0125	0.051	2	124.4342	0.433	23	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]Cl){1|C<3>,1|C<4>,1|N<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	126.8710	0.000	1	126.8710	0.000	1	126.8710	0.000	1	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H){1|C<4>,1|N<3>,2|C<3>,2|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[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	124.5760	0.000	1	124.5760	0.000	1	124.5760	0.000	1	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){2|C<3>,2|C<4>,2|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[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	125.1060	0.174	2	125.1060	0.030	2	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	125.4190	0.000	1	125.5990	0.170	3	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	125.3070	0.000	1	125.5990	0.170	3	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	126.0710	0.000	1	125.5990	0.170	3	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	123.6340	0.315	2	123.6340	0.099	2	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	124.1970	0.000	1	124.1970	0.000	1	124.8093	0.808	8	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO)	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(S[6]N[6]OO){1|C<3>,1|H<1>,2|C<4>}	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	124.9172	1.024	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:1:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	125.0710	0.796	2	125.0710	0.634	2	125.0710	0.634	2	125.0710	0.634	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(ONi)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a])(ONi){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni){1|H<1>,2|C<3>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	120.2742	1.435	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OCd)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Cd)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OCd){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Cd){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.9170	0.000	1	120.9170	0.000	1	120.8003	0.068	4	120.2742	1.435	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.5350	0.000	1	120.8215	0.164	2	120.8003	0.068	4	120.2742	1.435	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OMn){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.1080	0.000	1	120.8215	0.164	2	120.8003	0.068	4	120.2742	1.435	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OPb)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Pb)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(OPb){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Pb){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	120.6410	0.000	1	120.6410	0.000	1	120.8003	0.068	4	120.2742	1.435	5	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:2:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	126.0275	0.460	4	126.0275	0.212	4	126.0275	0.212	4	126.0275	0.212	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:2:	3:3:3:	C[6,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	123.8920	0.000	1	123.8920	0.000	1	123.8920	0.000	1	123.8920	0.000	1	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	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[6,6a]-3:C[6,6a]-3:C[6a]-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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a])	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O){7|C<3>}	122.6200	0.000	1	122.6200	0.000	1	122.3680	0.098	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	122.2420	0.317	2	122.2420	0.100	2	122.3680	0.098	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	120.6163	0.387	3	120.6163	0.150	3	120.6163	0.150	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	123.6490	0.000	1	123.6490	0.000	1	123.8163	0.043	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	124.0490	0.000	1	124.0490	0.000	1	123.8163	0.043	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	123.7510	0.000	1	123.7510	0.000	1	123.8163	0.043	3	122.3479	1.656	11	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6,6a]C[6a]){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	123.1800	0.000	1	123.1800	0.000	1	122.6658	0.527	4	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	123.3920	0.000	1	123.3920	0.000	1	122.6658	0.527	4	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	121.9500	0.000	1	121.9500	0.000	1	122.6658	0.527	4	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	122.1410	0.000	1	122.1410	0.000	1	122.6658	0.527	4	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	122.7007	1.032	9	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	121.7990	0.000	1	121.7990	0.000	1	121.7990	0.000	1	121.7990	0.000	1	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:3:	3:3:	4:3:3:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	120.5660	1.581	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6])	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C){1|C<3>,1|S<2>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]C)(S[6]C[6]){1|N<2>,1|S<2>,2|C<3>}	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	120.5660	1.581	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	122.3090	0.362	2	122.3090	0.131	2	122.3090	0.131	2	121.7553	0.270	6	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH){1|F<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	121.9250	0.000	1	121.9250	0.000	1	121.4785	0.099	4	121.7553	0.270	6	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	121.3297	0.125	3	121.3297	0.016	3	121.4785	0.099	4	121.7553	0.270	6	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	122.9351	0.339	7	122.9351	0.115	7	122.9351	0.115	7	122.9364	0.148	10	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,2|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	122.9364	0.148	10	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	123.5830	0.000	1	123.5830	0.000	1	123.0515	0.565	2	122.9364	0.148	10	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:3:4:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC){3|C<3>,3|H<1>}	122.5200	0.000	1	122.5200	0.000	1	123.0515	0.565	2	122.9364	0.148	10	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:2:4:	3:3:	3:4:3:	C[6,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	122.8563	0.278	4	122.8563	0.077	4	122.8563	0.077	4	122.8563	0.077	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N[6a])(O[6]C[6,6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	120.0910	0.399	2	120.0910	0.159	2	120.0910	0.159	2	120.0910	0.159	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	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[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a])	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[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a]){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	122.0007	0.166	3	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6])	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.0007	0.166	3	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|O<2>,4|H<1>,5|C<3>}	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	122.0007	0.166	3	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[5]-3:N[6a]-2:	C[6a]-3:C[5,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a])	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a]){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]C[5])(C[5,6a]C[5,6a]2){1|C<4>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.0660	0.000	1	126.0660	0.000	1	126.0660	0.000	1	123.6128	3.477	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH)	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[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	123.6128	3.477	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	124.0530	0.000	1	124.0530	0.000	1	123.0450	2.032	2	123.6128	3.477	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,5|C<3>}	122.0370	0.000	1	122.0370	0.000	1	123.0450	2.032	2	123.6128	3.477	4	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	121.9835	0.723	2	121.9835	0.523	2	121.9835	0.523	2	121.9835	0.523	2	123.2662	2.725	109	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|Br<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]N[6a]H){1|C<3>,1|N<2>,3|H<1>}	123.8370	0.000	1	123.8370	0.000	1	124.3853	0.350	7	124.8065	1.720	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.4220	0.000	1	124.4767	0.350	6	124.3853	0.350	7	124.8065	1.720	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	125.1370	0.000	1	124.4767	0.350	6	124.3853	0.350	7	124.8065	1.720	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,3|H<1>}	124.3252	0.638	4	124.4767	0.350	6	124.3853	0.350	7	124.8065	1.720	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a])(H)	N[6a](C[6a]C[6a,6a]H)(O[6a]B[6a])	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]O[6a])(H){1|B<3>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(O[6a]B[6a]){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,2|O<2>}	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	124.8065	1.720	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{1|C<3>,2|N<2>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,4|C<3>}	123.6430	0.236	2	123.6430	0.056	2	123.6430	0.056	2	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,2|C<3>}	124.7980	0.000	1	124.2415	0.619	2	124.0177	0.460	3	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	123.6850	0.000	1	124.2415	0.619	2	124.0177	0.460	3	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.5700	0.000	1	123.5700	0.000	1	124.0177	0.460	3	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(O[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(O[6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.6845	0.484	4	121.6845	0.234	4	121.6845	0.234	4	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	116.9470	0.000	1	116.9470	0.000	1	116.9470	0.000	1	122.3024	4.923	10	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(Cl)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]Cl){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.3630	0.000	1	126.3630	0.000	1	126.3630	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|H<1>,4|C<3>}	126.7618	0.068	4	126.7618	0.005	4	126.7618	0.005	4	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2{4|C<3>}	124.3610	0.000	1	124.3610	0.000	1	123.7576	0.469	5	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]Cl)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){1|N<2>,5|C<3>}	123.8850	0.000	1	123.8850	0.000	1	123.7576	0.469	5	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]Cl)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[6a]Cl)2{4|C<3>}	123.5140	0.811	3	123.5140	0.658	3	123.7576	0.469	5	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	125.5150	0.000	1	125.5150	0.000	1	125.3437	1.501	3	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.4740	0.000	1	126.4740	0.000	1	125.3437	1.501	3	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	124.0420	0.000	1	124.0420	0.000	1	125.3437	1.501	3	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[5a,6a])(H){1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,5|C<3>}	126.3230	0.000	1	126.3230	0.000	1	126.3230	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	125.3740	0.000	1	125.3740	0.000	1	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.7720	0.000	1	125.7720	0.000	1	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	125.2940	0.190	2	125.2940	0.036	2	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H){5|C<3>}	125.0760	0.000	1	125.0760	0.000	1	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.6020	0.000	1	124.6020	0.000	1	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.6900	0.000	1	125.6900	0.000	1	125.3003	0.159	7	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]H){1|Ru<7>,1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.7650	0.000	1	125.7650	0.000	1	125.7650	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	124.5390	0.000	1	124.5390	0.000	1	124.5390	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.4600	0.000	1	125.4600	0.000	1	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	124.7320	0.000	1	124.7320	0.000	1	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	125.7967	0.370	6	125.7967	0.137	6	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.1880	0.000	1	125.3750	0.070	2	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	125.5620	0.000	1	125.3750	0.070	2	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,5|C<3>}	125.3820	0.000	1	125.3820	0.000	1	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.2729	1.493	11	124.4554	1.608	16	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.6810	0.134	4	124.4554	1.608	16	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.5610	0.000	1	124.4554	1.608	16	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.8440	0.000	1	124.8440	0.000	1	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){4|C<3>}	125.1555	0.271	2	125.1555	0.073	2	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.3595	0.722	11	125.2061	0.757	12	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	123.5190	0.000	1	125.2061	0.757	12	125.0005	1.052	42	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	124.0984	0.603	8	124.0984	0.364	8	123.8404	0.324	19	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	123.5709	0.424	10	123.6528	0.236	11	123.8404	0.324	19	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	124.4720	0.000	1	123.6528	0.236	11	123.8404	0.324	19	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){5|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,5|C<3>}	124.7670	0.000	1	124.7670	0.000	1	124.4205	0.240	2	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,5|C<3>}	124.0740	0.000	1	124.0740	0.000	1	124.4205	0.240	2	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.7550	0.000	1	124.7550	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.5980	0.000	1	125.5980	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|F<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.0040	0.000	1	124.0040	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.8090	0.447	2	125.1717	0.156	6	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|C<3>,2|H<1>}	125.4240	0.000	1	125.1717	0.156	6	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<2>,2|C<3>,2|H<1>}	125.5010	0.017	2	125.1717	0.156	6	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.9860	0.000	1	125.1717	0.156	6	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	125.2610	0.000	1	125.2610	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){4|C<3>}	124.8050	0.000	1	124.8050	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.7330	0.000	1	124.3020	0.321	5	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.2260	0.000	1	124.3020	0.321	5	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.1837	0.725	3	124.3020	0.321	5	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	125.5050	0.000	1	125.5050	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(C[6a]N[6a]H){1|H<1>,4|C<3>}	124.6340	0.000	1	124.6340	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,4|C<3>}	124.4850	0.000	1	124.4850	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.2050	0.000	1	126.2050	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,2|C<3>,2|H<1>}	125.3550	0.986	2	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.7747	0.463	3	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	124.9400	0.338	4	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	124.9535	0.476	2	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.2410	0.119	2	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|C<3>,2|H<1>}	125.2805	0.718	2	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|Se<2>,2|C<3>,2|H<1>}	125.0700	0.914	2	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	119.3420	11.872	6	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.8700	0.000	1	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.7923	0.281	11	123.9006	25.418	35	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	123.8860	0.000	1	123.8860	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6,6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>,2|C<4>}	123.1080	0.000	1	123.1080	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.6520	0.000	1	123.6520	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	123.6800	0.000	1	123.6800	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.4980	0.528	2	124.4980	0.278	2	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,3|H<1>}	124.6500	0.000	1	124.6500	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|F<1>,1|O<2>,2|C<3>}	122.9940	0.000	1	122.9940	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(C[6a]O[6a]O){3|C<3>}	122.5170	0.000	1	122.5170	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	123.2780	0.000	1	123.2780	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>}	123.6360	0.000	1	123.6360	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	124.6790	0.000	1	124.6790	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	123.1320	0.000	1	123.1320	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5]){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,3|C<3>}	125.0350	0.000	1	125.0350	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){1|C<4>,3|C<3>}	123.9309	0.209	8	123.9309	0.044	8	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	122.8150	0.000	1	123.5484	0.221	5	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	123.7318	0.265	4	123.5484	0.221	5	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	124.7670	0.000	1	124.7670	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){3|C<3>}	123.7600	0.000	1	123.7600	0.000	1	124.1104	10.828	84	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	126.6420	0.000	1	126.9820	0.231	2	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	127.3220	0.000	1	126.9820	0.231	2	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	126.8040	0.000	1	126.8040	0.000	1	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	125.3904	0.681	5	125.2400	0.507	6	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	124.4880	0.000	1	125.2400	0.507	6	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	125.1140	0.000	1	125.1760	0.008	2	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	125.2380	0.000	1	125.1760	0.008	2	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	124.5975	0.480	2	124.5975	0.231	2	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|H<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	125.0220	0.000	1	125.0220	0.000	1	125.4841	0.890	14	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	127.7973	0.387	3	127.6370	0.203	4	127.6370	0.203	4	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	127.1560	0.000	1	127.6370	0.203	4	127.6370	0.203	4	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	126.1280	0.000	1	126.1280	0.000	1	126.1594	0.369	9	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.6890	0.000	1	126.1634	0.421	8	126.1594	0.369	9	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	126.3335	0.322	2	126.1634	0.421	8	126.1594	0.369	9	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	126.4737	0.563	4	126.1634	0.421	8	126.1594	0.369	9	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5a,6a])(H){1|H<1>,4|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H){5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.0560	0.000	1	126.1634	0.421	8	126.1594	0.369	9	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	C[6a,6a](C[6a,6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	128.8088	0.678	4	128.8088	0.460	4	128.4082	0.667	6	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6,6a])(H){1|B<3>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	127.6070	0.168	2	127.6070	0.028	2	128.4082	0.667	6	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I)	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]I){1|N<3>,2|C<3>,2|H<1>}	124.6370	0.000	1	124.6370	0.000	1	124.6370	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(O)	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O){6|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	118.0980	0.000	1	118.0980	0.000	1	118.0980	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|H<1>,3|C<3>}	115.9190	0.928	2	115.9190	0.861	2	115.9190	0.861	2	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	117.3800	0.000	1	117.5275	0.044	2	116.9110	0.340	6	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	117.6750	0.000	1	117.5275	0.044	2	116.9110	0.340	6	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,2|H<1>}	116.6028	0.415	4	116.6028	0.172	4	116.9110	0.340	6	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-1:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(O)	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O){1|O<2>,2|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.3900	0.000	1	120.3900	0.000	1	120.3900	0.000	1	124.4332	8.280	214	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:1:	4:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H)	N[6a](N[6a]B[6,6a]CC)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[6a](N[6a]B[6,6a]CC)(C[6a]C[6a,6a]H){2|C<3>,2|O<2>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	130.0215	0.435	2	130.0215	0.189	2	130.0215	0.189	2	130.0215	0.189	2	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	125.7190	0.000	1	125.7190	0.000	1	125.7190	0.000	1	125.7190	0.000	1	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	120.9990	0.000	1	120.9990	0.000	1	120.2340	1.170	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	119.4690	0.000	1	119.4690	0.000	1	120.2340	1.170	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a,6a]N)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	120.4680	0.040	2	120.4680	0.002	2	120.4680	0.002	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	121.0260	0.000	1	121.1545	0.033	2	121.1545	0.033	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	121.2830	0.000	1	121.1545	0.033	2	121.1545	0.033	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	125.3290	0.000	1	125.3290	0.000	1	126.7997	1.686	3	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	127.5350	0.356	2	127.5350	0.127	2	126.7997	1.686	3	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.2420	0.000	1	124.2420	0.000	1	124.4303	0.079	4	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,3|C<3>}	124.8440	0.000	1	124.8440	0.000	1	124.4303	0.079	4	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	124.2610	0.000	1	124.3175	0.006	2	124.4303	0.079	4	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.3740	0.000	1	124.3175	0.006	2	124.4303	0.079	4	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	125.9240	0.331	2	125.9240	0.110	2	125.9240	0.110	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	125.5660	0.000	1	125.6485	0.014	2	125.6485	0.014	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	125.7310	0.000	1	125.6485	0.014	2	125.6485	0.014	2	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	124.7830	0.000	1	124.7830	0.000	1	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	125.2470	0.000	1	125.1163	0.061	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	125.2710	0.000	1	125.1163	0.061	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.8310	0.000	1	125.1163	0.061	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.2680	0.791	2	124.2680	0.625	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	124.4320	0.000	1	124.7313	0.073	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>}	124.8070	0.000	1	124.7313	0.073	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.9550	0.000	1	124.7313	0.073	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,3|H<1>}	124.5470	0.000	1	124.4010	0.043	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.2550	0.000	1	124.4010	0.043	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	123.1900	0.000	1	123.1900	0.000	1	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	122.0430	0.727	2	122.0430	0.528	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	124.0623	0.296	3	124.0623	0.088	3	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>}	123.4900	0.000	1	123.4600	0.002	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	123.4300	0.000	1	123.4600	0.002	2	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|H<1>}	124.8100	0.000	1	124.8100	0.000	1	124.1428	0.906	20	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	126.6130	0.000	1	126.6130	0.000	1	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	124.5690	0.000	1	124.5690	0.000	1	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	124.7335	0.298	2	124.7335	0.089	2	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	122.4953	2.730	3	123.1903	3.172	7	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.0625	0.476	2	123.1903	3.172	7	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.3605	0.931	2	123.1903	3.172	7	123.9074	3.184	11	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]S){2|H<1>,5|C<3>}	124.4877	0.056	3	124.4877	0.003	3	124.4877	0.003	3	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,3|H<1>}	124.4378	0.648	6	124.4378	0.420	6	124.0180	0.914	9	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]S){1|H<1>,3|C<3>}	124.3170	0.000	1	124.3170	0.000	1	124.0180	0.914	9	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,2|H<1>}	122.8310	0.000	1	122.8310	0.000	1	124.0180	0.914	9	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,2|H<1>}	122.3870	0.000	1	122.3870	0.000	1	124.0180	0.914	9	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Se)(C[6a]C[6a]H){2|C<3>,3|H<1>}	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	124.0199	2.829	61	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|N<2>,2|C<3>,2|H<1>}	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){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[6a]){1|C<4>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[5a,6a]){1|N<3>,6|C<3>}	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	119.2020	0.000	1	119.2020	0.000	1	120.7416	0.463	10	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	120.5600	0.455	2	120.5600	0.207	2	120.7416	0.463	10	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.8240	0.004	2	120.8240	0.000	2	120.7416	0.463	10	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	120.6775	0.432	2	120.6775	0.187	2	120.7416	0.463	10	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	121.3637	0.274	3	121.3637	0.075	3	120.7416	0.463	10	120.8596	0.570	11	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	124.7150	0.000	1	124.7150	0.000	1	124.9685	0.129	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.2220	0.000	1	125.2220	0.000	1	124.9685	0.129	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	116.8210	0.000	1	116.8210	0.000	1	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	122.1742	0.175	6	122.1742	0.031	6	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]N[6a]C){1|O<2>,2|C<3>,2|H<1>}	124.7000	0.000	1	124.7000	0.000	1	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|O<2>,2|C<3>,2|H<1>}	124.2320	0.000	1	124.2320	0.000	1	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,6|C<3>}	123.9540	0.000	1	123.9540	0.000	1	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	123.4660	0.260	3	123.4660	0.067	3	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.6893	0.268	3	122.6893	0.072	3	122.5761	3.072	16	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<3>,2|N<2>,5|C<3>}	123.1840	0.000	1	123.1840	0.000	1	123.1840	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]C[6a]){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.7340	0.061	2	123.7340	0.004	2	123.7340	0.004	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,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[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(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[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	122.8750	0.000	1	122.8750	0.000	1	122.8750	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.1890	0.000	1	123.1890	0.000	1	123.5590	0.345	8	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(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[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.3632	0.278	5	123.3632	0.077	5	123.5590	0.345	8	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){6|C<3>}	124.8920	0.000	1	124.8920	0.000	1	123.5590	0.345	8	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a]){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.5750	0.000	1	123.5750	0.000	1	123.5590	0.345	8	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	123.5590	0.000	1	123.5590	0.000	1	122.7433	0.503	3	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.7433	0.503	3	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	122.3970	0.000	1	122.3970	0.000	1	122.7433	0.503	3	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	126.1910	0.000	1	126.1910	0.000	1	124.6095	5.002	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	123.0280	0.000	1	123.0280	0.000	1	124.6095	5.002	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,2|C<3>,2|H<1>}	117.0565	0.193	2	117.0565	0.037	2	120.5264	10.206	5	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	122.2350	0.000	1	122.2350	0.000	1	120.5264	10.206	5	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	123.1420	0.325	2	123.1420	0.106	2	120.5264	10.206	5	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){6|C<3>}	124.3770	0.000	1	124.3770	0.000	1	122.8387	1.801	3	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	122.0695	0.230	2	122.0695	0.053	2	122.8387	1.801	3	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)2	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	123.9820	0.137	2	123.9820	0.019	2	123.9820	0.019	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	123.9760	0.455	2	123.9760	0.207	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	124.3540	0.000	1	124.3540	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	120.9525	0.210	2	120.9525	0.044	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,2|C<3>}	120.4430	0.000	1	120.4430	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	120.7620	0.000	1	120.7620	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	122.1840	0.390	2	122.1840	0.152	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	122.6997	0.265	3	122.6997	0.070	3	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|P<4>,2|C<3>,2|H<1>}	122.4520	0.000	1	122.4520	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|I<1>,2|C<3>}	121.8310	0.000	1	121.3685	0.165	26	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	122.1260	0.000	1	121.3685	0.165	26	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	121.3083	0.594	3	121.3685	0.165	26	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	121.3208	0.368	20	121.3685	0.165	26	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	121.2810	0.000	1	121.3685	0.165	26	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	121.4710	0.000	1	121.4710	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	122.8120	0.000	1	122.8120	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5]){1|C<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,1|H<1>,4|C<3>}	123.1970	0.353	4	123.1970	0.125	4	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6]){1|C<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,1|H<1>,4|C<3>}	123.6990	0.416	2	123.6990	0.173	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	120.2730	0.000	1	120.2730	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	120.5303	0.335	3	120.5303	0.112	3	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,2|C<3>}	121.4380	0.000	1	121.4380	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){1|C<2>,1|F<1>,2|C<3>}	119.7290	0.000	1	119.7290	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N){3|C<3>}	120.3780	0.000	1	120.3780	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){3|C<3>}	119.8900	0.000	1	119.8900	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){2|C<3>,2|H<1>}	120.9770	0.857	2	120.9770	0.734	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|F<1>,1|H<1>,2|C<3>}	121.5670	0.000	1	121.1885	0.287	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	120.8100	0.000	1	121.1885	0.287	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){1|C<4>,2|C<3>}	120.8080	0.000	1	120.8080	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	123.4225	0.063	2	123.4225	0.004	2	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NPdC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Pd)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NPdC){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Pd)(C[6a]N[6a]N){2|C<3>,2|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.6998	1.227	63	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	122.4400	0.219	2	122.4400	0.048	2	122.4400	0.048	2	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	124.6620	0.000	1	124.6620	0.000	1	124.6620	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6])	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6]C[6,6a]2){1|H<1>,8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.1318	0.445	6	125.1318	0.198	6	125.1318	0.198	6	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	122.8590	0.089	2	122.8590	0.008	2	121.9911	0.658	12	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	122.4145	0.572	4	122.4145	0.327	4	121.9911	0.658	12	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[6])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	121.7223	0.430	4	121.7223	0.185	4	121.9911	0.658	12	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3630	0.000	1	120.8140	0.407	2	121.9911	0.658	12	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	121.2650	0.000	1	120.8140	0.407	2	121.9911	0.658	12	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.4170	0.000	1	119.4170	0.000	1	119.4170	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:P-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P){2|H<1>,3|C<3>}	124.7930	0.000	1	124.7930	0.000	1	124.7930	0.000	1	122.3054	2.701	134	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a,6a]){3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	122.6600	0.000	1	122.6600	0.000	1	122.6600	0.000	1	122.3740	1.121	4	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.0340	0.000	1	123.0340	0.000	1	122.2787	1.627	3	122.3740	1.121	4	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|N<2>,3|H<1>}	122.9960	0.000	1	122.9960	0.000	1	122.2787	1.627	3	122.3740	1.121	4	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:2:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C)2{2|C<4>,2|N<2>}	120.8060	0.000	1	120.8060	0.000	1	122.2787	1.627	3	122.3740	1.121	4	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]C)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]C)(C[6a]O[6a]O){4|C<3>}	122.0600	0.000	1	122.1465	0.015	2	121.9606	0.214	7	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]C)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]C)(C[6a]O[6a]O){4|C<3>}	122.2330	0.000	1	122.1465	0.015	2	121.9606	0.214	7	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]N[6a]C)(C[6a]N[6a]O){4|C<3>}	121.6833	0.341	4	121.6833	0.116	4	121.9606	0.214	7	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|N<2>,2|C<3>,2|H<1>}	122.6980	0.000	1	122.6980	0.000	1	121.9606	0.214	7	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]C){1|H<1>,4|C<3>}	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|N<2>,3|C<3>}	123.2880	0.856	2	123.2880	0.732	2	123.2880	0.732	2	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C){1|H<1>,6|C<3>}	123.0530	0.000	1	123.0530	0.000	1	122.9920	0.007	2	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]N[6a]C){2|H<1>,5|C<3>}	122.9310	0.000	1	122.9310	0.000	1	122.9920	0.007	2	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,1|S<2>,3|C<3>}	122.4050	0.075	2	122.4050	0.006	2	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCFF){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.2050	0.000	2	125.2050	0.000	2	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	122.5845	0.145	2	122.1590	0.271	4	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	121.7335	0.262	2	122.1590	0.271	4	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	123.2230	0.000	1	123.2230	0.000	1	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]FF){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	124.5880	0.000	1	124.5880	0.000	1	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	123.5765	0.054	2	123.5765	0.003	2	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CF3){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.3640	0.000	1	125.3640	0.000	1	123.3988	1.737	13	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)2	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)2{3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,4|C<3>}	122.0438	0.397	4	122.0438	0.158	4	122.0438	0.158	4	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.0970	0.000	1	122.0970	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	122.9565	0.416	2	122.9565	0.173	2	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	121.7580	0.000	1	121.7580	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	122.1710	0.000	1	122.1710	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(C[6a]N[6a]C){1|O<2>,2|C<3>,2|H<1>}	122.6250	0.000	1	122.6250	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	123.1350	0.000	1	123.1350	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.7360	0.000	1	122.7360	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.9850	0.000	1	122.9850	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	122.8350	0.493	3	122.8350	0.243	3	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	123.2850	0.000	1	123.2850	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	123.0140	0.000	1	123.0140	0.000	1	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|O<2>,2|C<3>,2|H<1>}	122.8663	0.424	4	122.7581	0.120	17	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>,3|H<1>}	122.7248	0.331	13	122.7581	0.120	17	122.7261	0.173	32	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3)	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]B[5,6a]C[5])(C[6a]C[6a,6a]C){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	124.6070	0.000	1	124.6070	0.000	1	124.6070	0.000	1	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	123.4150	0.000	1	123.4150	0.000	1	123.4150	0.000	1	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P){1|C<4>,1|H<1>,3|C<3>}	124.2740	0.269	2	124.2385	0.027	4	124.2385	0.027	4	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P){2|H<1>,3|C<3>}	124.2030	0.064	2	124.2385	0.027	4	124.2385	0.027	4	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(PC[6a]2Ir)	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ir)(C[6a]N[6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(PC[6a]2Ir){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Ir)(C[6a]N[6a]P){2|C<3>,3|H<1>}	125.7655	0.545	2	125.7655	0.297	2	125.7655	0.297	2	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,3|H<1>}	125.8230	0.000	1	125.8230	0.000	1	125.5627	0.979	3	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){2|C<3>,3|H<1>}	126.3960	0.000	1	126.3960	0.000	1	125.5627	0.979	3	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:2:4:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl){2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|O<2>,2|C<3>}	124.4690	0.000	1	124.4690	0.000	1	125.5627	0.979	3	123.0962	1.259	73	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	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[6a,6a](C[6a]C[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	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[6a,6a](C[6a]C[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	121.4665	0.377	2	121.4665	0.142	2	121.4665	0.142	2	122.5756	0.505	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	122.8755	0.176	2	122.8755	0.031	2	122.9453	0.023	6	122.5756	0.505	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|O<2>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	123.2080	0.000	1	123.0515	0.049	2	122.9453	0.023	6	122.5756	0.505	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){5|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.8950	0.000	1	123.0515	0.049	2	122.9453	0.023	6	122.5756	0.505	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,2|N<2>,4|C<3>}	122.9090	0.014	2	122.9090	0.000	2	122.9453	0.023	6	122.5756	0.505	8	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<3>,5|C<3>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	123.5660	0.000	1	123.5660	0.000	1	123.5660	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	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[6a,6a]-3:C[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	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[3x6a]-3:C[6a]-3:C[6a]-3:	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[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]H)	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[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	121.6210	0.369	2	121.6210	0.136	2	121.6210	0.136	2	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	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[6a,6a]-3:C[6a]-3:C[6a]-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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H)	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[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[5a]N[6a])(C[6a]N[6a]H){5|C<3>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[6])(C[6a]C[6a]H)	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[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[3x6a]C[5,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,5|C<3>}	124.3710	0.000	1	124.3710	0.000	1	124.5180	0.043	2	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,5|C<3>}	124.6650	0.000	1	124.6650	0.000	1	124.5180	0.043	2	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){1|N<2>,5|C<3>}	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	121.9960	0.000	1	121.9960	0.000	1	121.9065	0.016	2	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a]){1|N<2>,2|H<1>,5|C<3>}	121.8170	0.000	1	121.8170	0.000	1	121.9065	0.016	2	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|P<3>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.8195	0.100	2	121.8195	0.010	2	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.7670	0.000	1	121.7670	0.000	1	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.2270	0.000	1	123.2270	0.000	1	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	121.5777	0.467	3	121.5777	0.218	3	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	121.4410	0.000	1	121.4594	0.207	17	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	121.3940	0.000	1	121.4594	0.207	17	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	120.6670	0.000	1	121.4594	0.207	17	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.5220	0.449	14	121.4594	0.207	17	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,5|C<3>}	120.6210	0.000	1	120.6210	0.000	1	121.5519	0.324	25	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.5870	0.018	3	123.3372	0.307	13	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.2180	0.141	3	123.3372	0.307	13	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|P<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.4710	0.000	1	123.3372	0.307	13	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|Pd<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3045	0.435	2	123.3372	0.307	13	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|S<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.7223	0.401	4	123.3372	0.307	13	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	123.7152	0.350	4	123.7152	0.123	4	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	122.4200	0.000	1	122.4200	0.000	1	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.7115	0.247	2	122.6167	0.057	3	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4270	0.000	1	122.6167	0.057	3	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.4020	0.000	1	122.3380	0.008	2	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){5|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.2740	0.000	1	122.3380	0.008	2	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1350	0.000	1	122.3660	0.492	3	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){4|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.9815	0.312	2	122.3660	0.492	3	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.9870	0.000	1	122.9870	0.000	1	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.8840	0.000	1	122.8840	0.000	1	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,4|C<3>}	122.9820	0.912	2	122.9820	0.832	2	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	122.8130	0.000	1	122.8130	0.000	1	123.0625	0.410	31	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.4420	0.000	1	123.4420	0.000	1	123.4420	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	125.0130	0.045	2	125.4120	0.213	4	125.4120	0.213	4	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	125.8110	0.017	2	125.4120	0.213	4	125.4120	0.213	4	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H)	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.3880	0.000	1	124.3880	0.000	1	124.3880	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]2){3|H<1>,4|C<3>}	127.0670	0.000	1	127.0670	0.000	1	127.0670	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	125.2680	0.000	1	125.2680	0.000	1	125.2680	0.000	1	122.6347	2.300	76	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C-4:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.7690	0.164	2	123.7690	0.027	2	123.6136	0.041	5	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.4900	0.000	1	123.4900	0.000	1	123.6136	0.041	5	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.6880	0.000	1	123.5200	0.056	2	123.6136	0.041	5	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.3520	0.000	1	123.5200	0.056	2	123.6136	0.041	5	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	3:4:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a]){2|C<4>,4|C<3>,5|H<1>}	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	123.2573	0.398	7	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	4:3:2:	3:3:	3:3:3:	C[3x4,3x6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[3x4,3x6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[3x4,3x6]C[3x4,3x6]3)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a,6a](C[6a]C[3x4,3x6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	123.1570	0.000	1	123.1570	0.000	1	123.1570	0.000	1	122.6413	0.284	3	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a,6a]	4:3:2:	3:3:	3:3:3:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a]C[5,6]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.3835	0.411	2	122.3835	0.169	2	122.3835	0.169	2	122.6413	0.284	3	123.4054	5.390	614	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]Cl)(Cl){1|C<3>,1|N<2>}	123.7220	0.410	2	123.7220	0.168	2	123.7220	0.168	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(Cl){2|C<3>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){1|C<3>,1|N<3>}	123.2530	0.000	1	124.0845	1.383	2	124.0845	1.383	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){2|C<3>}	124.9160	0.000	1	124.0845	1.383	2	124.0845	1.383	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<4>}	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.1300	0.000	1	123.3410	0.089	2	123.3410	0.089	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[5,6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.5520	0.000	1	123.3410	0.089	2	123.3410	0.089	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	123.2910	0.000	1	123.2910	0.000	1	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	123.2415	0.050	2	123.2415	0.003	2	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	123.6113	0.441	3	123.4728	0.102	8	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.2300	0.127	3	123.4728	0.102	8	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.6290	0.098	2	123.4728	0.102	8	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	121.4065	1.024	6	122.3339	0.948	18	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	122.7976	0.533	12	122.3339	0.948	18	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|Se<2>,1|C<3>}	N[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]H)(H){1|Se<2>,1|C<3>}	122.4375	1.876	2	122.4375	3.519	2	122.7239	0.953	31	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.7660	0.000	1	123.9155	1.685	11	123.8421	1.277	15	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	123.6110	0.099	2	123.9155	1.685	11	123.8421	1.277	15	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	124.0102	1.538	8	123.9155	1.685	11	123.8421	1.277	15	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){2|C<3>}	124.3620	0.000	1	124.3620	0.000	1	123.8421	1.277	15	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.3997	0.232	3	123.3997	0.054	3	123.8421	1.277	15	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|Mo<9>,1|N<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.0118	0.200	8	122.8149	0.203	10	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){2|C<3>}	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[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.0275	0.001	2	122.8149	0.203	10	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.5150	0.000	1	122.2557	0.057	3	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.1260	0.119	2	122.2557	0.057	3	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	121.7516	0.272	5	121.7516	0.074	5	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	121.5065	0.279	2	121.5065	0.078	2	122.3344	0.406	20	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	120.9200	0.000	1	120.9200	0.000	1	121.3995	0.460	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(H){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(Cl){2|C<3>}	121.8790	0.000	1	121.8790	0.000	1	121.3995	0.460	2	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|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[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.5655	0.477	2	122.5655	0.228	2	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.5633	0.758	24	122.5410	0.558	36	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.4964	0.755	12	122.5410	0.558	36	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.7549	0.735	58	122.7549	0.541	58	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.0250	0.000	1	122.5970	0.319	56	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.1492	0.697	4	122.5970	0.319	56	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	121.7160	0.000	1	122.5970	0.319	56	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.6619	0.534	50	122.5970	0.319	56	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.6320	0.000	1	122.4835	0.044	2	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(H){2|C<3>}	122.3350	0.000	1	122.4835	0.044	2	122.6415	0.454	154	122.7197	0.697	229	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN){2|C<3>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.7278	0.372	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	121.7239	0.641	15	121.7239	0.411	15	121.7239	0.411	15	121.7278	0.372	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a]){2|C<3>}	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	121.7278	0.372	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	123.7520	0.000	1	123.7520	0.000	1	123.7623	0.013	3	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	123.7675	0.161	2	123.7675	0.026	2	123.7623	0.013	3	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	123.5145	0.046	2	123.5145	0.002	2	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	122.2520	0.000	1	122.2520	0.000	1	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	122.4640	0.000	1	122.4640	0.000	1	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	123.4532	0.425	6	123.4532	0.181	6	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	123.1240	0.000	1	123.1240	0.000	1	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	121.9345	0.037	2	121.9345	0.001	2	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	123.8780	0.000	1	123.8780	0.000	1	123.0954	0.496	14	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	123.0344	0.171	5	123.0344	0.029	5	122.8276	1.518	13	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	122.6423	1.711	7	122.6423	2.929	7	122.8276	1.518	13	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	123.0910	0.000	1	123.0910	0.000	1	122.8276	1.518	13	123.0460	0.927	30	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	124.0630	0.000	1	124.0630	0.000	1	124.6120	0.603	2	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	125.1610	0.000	1	125.1610	0.000	1	124.6120	0.603	2	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH){2|C<3>}	123.6900	0.000	1	123.6900	0.000	1	122.6964	0.644	5	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	122.9670	0.000	1	122.9670	0.000	1	122.6964	0.644	5	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	121.9585	0.617	2	121.9585	0.381	2	122.6964	0.644	5	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	122.9080	0.000	1	122.9080	0.000	1	122.6964	0.644	5	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O){2|C<3>}	122.4653	0.429	3	122.4653	0.184	3	122.4653	0.184	3	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	123.0070	1.006	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	125.6950	0.355	2	125.6950	0.126	2	125.6950	0.126	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]Br)(Br){1|C<3>,1|N<2>}	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	126.0930	0.000	1	126.0930	0.000	1	126.0493	0.076	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	126.3000	0.000	1	126.3000	0.000	1	126.0493	0.076	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H){1|C<3>,1|N<2>}	125.7550	0.000	1	125.7550	0.000	1	126.0493	0.076	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H){4|C<3>}	126.7160	0.418	3	126.7160	0.174	3	126.4403	0.231	6	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Br)(H){4|C<3>}	126.3620	0.338	2	126.3620	0.114	2	126.4403	0.231	6	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Br)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Br)(H){2|C<3>}	125.7700	0.000	1	125.7700	0.000	1	126.4403	0.231	6	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	126.3940	0.000	1	126.3940	0.000	1	126.3790	0.000	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	126.3640	0.000	1	126.3640	0.000	1	126.3790	0.000	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H){1|C<3>,1|N<2>}	127.6070	0.000	1	127.6070	0.000	1	127.6070	0.000	1	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	125.0230	0.000	1	125.3145	0.170	2	125.6763	0.478	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){1|C<3>,1|C<4>}	125.6060	0.000	1	125.3145	0.170	2	125.6763	0.478	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	126.4000	0.000	1	126.4000	0.000	1	125.6763	0.478	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(Cl){2|C<3>}	123.6555	0.558	2	123.6555	0.311	2	123.7227	0.170	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(Cl){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]Cl)(Cl){2|C<3>}	123.7900	0.424	2	123.7900	0.180	2	123.7227	0.170	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	126.7220	0.201	2	126.7220	0.040	2	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]Cl)(H){2|C<3>}	126.2140	0.000	1	126.2140	0.000	1	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	126.9365	1.913	2	126.7615	1.265	4	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	126.5865	0.122	2	126.7615	1.265	4	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	126.4660	0.000	1	126.4660	0.000	1	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(H){2|C<3>}	126.1210	0.000	1	126.1210	0.000	1	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(H){2|C<3>}	126.4020	0.383	2	126.4020	0.147	2	126.5541	0.457	11	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(Cl){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	126.6425	0.060	2	126.6425	0.004	2	126.6425	0.004	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H){1|N<2>,1|N<3>}	126.8195	0.107	2	126.7978	0.391	4	126.7978	0.391	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H){1|N<2>,1|N<3>}	127.5370	0.000	1	126.7978	0.391	4	126.7978	0.391	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(H){1|N<2>,1|N<3>}	126.0150	0.000	1	126.7978	0.391	4	126.7978	0.391	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]F)(H)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]H)(F)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]H)(F){1|C<4>,3|C<3>}	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.4662	0.418	25	124.4613	0.315	98	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4533	0.616	70	124.4613	0.315	98	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|P<4>}	124.4260	0.000	1	124.4613	0.315	98	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.6955	0.235	2	124.4613	0.315	98	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]I)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	125.7200	0.000	1	125.7200	0.000	1	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]F)(C[6a]N[6a]H)(H){2|C<3>}	125.0250	0.943	2	125.0250	0.890	2	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.0710	0.000	1	125.0710	0.000	1	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.1443	0.152	3	124.2107	0.117	11	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7350	0.000	1	124.2107	0.117	11	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3071	0.370	7	124.2107	0.117	11	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.9865	0.333	2	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.2320	0.000	1	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.0870	0.000	1	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.3750	0.000	1	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.5950	0.011	2	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.6407	1.307	6	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.9475	0.518	4	124.0289	1.134	17	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.2350	0.000	1	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.0705	0.500	4	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.8390	0.000	1	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.1120	0.000	1	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.2146	0.540	32	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.2010	0.000	1	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.8290	0.000	1	124.3991	0.403	41	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	122.9345	0.422	2	123.1947	0.292	3	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.7150	0.000	1	123.1947	0.292	3	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	123.7220	0.263	4	123.7220	0.069	4	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	126.4820	0.000	1	125.1880	1.380	3	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.5410	0.499	2	125.1880	1.380	3	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0070	0.000	1	124.0070	0.000	1	124.3806	0.468	182	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	123.6930	0.000	1	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	124.2630	0.000	1	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	123.4971	0.438	11	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	123.1925	0.481	10	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	122.6750	0.000	1	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.5600	0.062	3	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	123.1240	0.628	2	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.1590	0.000	1	123.3704	0.226	30	123.3704	0.226	30	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]F)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(F)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(F){4|C<3>}	123.2835	0.421	4	123.2835	0.177	4	123.2835	0.177	4	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.2570	1.325	2	123.7464	0.575	7	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.9422	0.505	5	123.7464	0.575	7	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.7094	0.520	9	124.7094	0.270	9	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.6160	0.000	1	124.6160	0.000	1	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.2055	0.419	2	125.2055	0.176	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	125.0010	0.000	1	125.0010	0.000	1	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	123.2630	0.000	1	123.5330	0.146	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	123.8030	0.000	1	123.5330	0.146	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.7825	0.508	2	124.7223	0.140	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.6020	0.000	1	124.7223	0.140	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.5600	0.000	1	124.9835	0.306	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.2940	0.000	1	124.9835	0.306	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	124.7590	0.000	1	124.9835	0.306	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	124.3210	0.000	1	124.9835	0.306	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.9612	0.711	5	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	124.7904	0.182	5	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5337	0.388	4	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|B<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.9136	0.609	5	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.9445	0.704	4	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.8495	1.399	2	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5840	0.000	1	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3800	0.251	4	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.6890	0.000	1	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4079	0.723	13	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.2366	0.247	5	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.3100	0.000	1	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.1860	0.000	1	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.8190	0.000	1	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3576	0.298	27	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3841	0.505	34	124.4801	0.278	113	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.7960	0.000	1	124.5060	0.221	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.7590	0.000	1	124.5060	0.221	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	123.9630	0.000	1	124.5060	0.221	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	124.6707	1.746	4	124.6707	3.049	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.0180	0.000	1	124.2357	0.222	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3445	0.610	2	124.2357	0.222	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.5290	0.000	1	124.7275	0.079	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.9260	0.000	1	124.7275	0.079	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.6145	0.121	2	124.4292	0.084	10	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.0690	0.099	2	124.4292	0.084	10	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.3940	0.000	1	124.4292	0.084	10	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.6640	0.248	3	124.4292	0.084	10	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){2|C<3>,2|N<2>}	124.2695	0.251	2	124.4292	0.084	10	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|C<3>,2|N<2>}	124.8720	0.000	1	124.8720	0.000	1	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.9082	0.272	4	124.9082	0.074	4	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.8440	0.000	1	124.4247	0.380	13	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.9870	0.000	1	124.4247	0.380	13	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3355	0.631	11	124.4247	0.380	13	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.7790	0.887	2	125.7790	0.786	2	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.6680	0.559	3	125.6680	0.313	3	124.5203	0.390	187	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.5390	0.000	1	123.5390	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.9340	0.000	1	123.9340	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.6358	0.135	5	124.1537	0.471	32	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.1633	0.486	23	124.1537	0.471	32	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	125.1785	2.413	2	124.1537	0.471	32	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	124.3850	0.000	1	124.1537	0.471	32	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.2400	0.000	1	124.1537	0.471	32	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.4690	0.000	1	123.4716	0.078	10	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.3683	0.301	3	123.4716	0.078	10	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.5552	0.333	5	123.4716	0.078	10	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.3660	0.000	1	123.4716	0.078	10	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	120.0360	0.000	1	120.0360	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|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[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H){1|Cr<8>,1|C<3>,1|N<3>,2|C<4>}	125.0905	0.282	2	125.0506	0.053	5	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|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[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H){1|Rh<5>,1|C<4>,1|N<3>,2|C<3>}	124.9220	0.000	1	125.0506	0.053	5	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|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[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H){1|Rh<8>,1|C<3>,1|N<3>,2|C<4>}	125.3130	0.000	1	125.0506	0.053	5	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,2|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[6a](C[6a]C[6,6a]C[5])(C[6a]N[6a]H)(H){1|Zr<10>,1|C<3>,1|N<3>,2|C<4>}	124.8370	0.000	1	125.0506	0.053	5	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){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[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.4330	0.000	1	124.4330	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.4260	0.000	1	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.2765	0.210	2	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.2520	0.464	3	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	122.6953	0.160	3	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4630	0.000	1	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.3540	0.311	5	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	126.1310	0.000	1	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.6214	0.839	5	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	122.4720	1.435	2	123.6190	0.972	23	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	125.1750	0.000	1	125.1750	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	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[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	127.0930	0.000	1	126.5486	0.229	8	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|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[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	126.2670	0.295	4	126.5486	0.229	8	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|O<2>,2|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[6a](C[6a]C[6,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	126.7427	0.554	3	126.5486	0.229	8	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.5880	0.195	2	123.5880	0.038	2	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.9535	0.674	2	123.9535	0.454	2	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0500	0.000	1	124.0500	0.000	1	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	122.8490	0.000	1	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7270	0.000	1	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.1050	0.000	2	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.2150	0.000	1	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5010	0.489	2	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<7>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.7555	0.098	2	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.9790	3.002	2	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.5320	0.047	2	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.6210	0.000	1	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	120.4100	0.000	1	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5835	0.760	6	124.2890	1.752	21	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3570	0.000	1	122.8692	0.665	6	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.2750	0.368	2	122.8692	0.665	6	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.1650	0.000	1	122.8692	0.665	6	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	122.5715	0.066	2	122.8692	0.665	6	124.1047	1.471	115	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H){3|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[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I){4|C<3>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O){1|C<3>,1|C<4>}	124.7205	0.303	2	124.7205	0.092	2	124.7205	0.092	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.0477	0.073	3	123.0477	0.005	3	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.2250	0.000	1	123.0875	0.038	2	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	122.9500	0.000	1	123.0875	0.038	2	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	123.5210	0.000	1	122.2355	1.676	4	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	121.1345	0.332	2	122.2355	1.676	4	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.1520	0.000	1	122.2355	1.676	4	122.6956	0.825	9	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	123.7397	0.485	6	123.7397	0.235	6	123.7397	0.235	6	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7930	0.399	2	123.7930	0.159	2	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.4650	0.033	2	124.3624	0.124	10	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3367	0.394	8	124.3624	0.124	10	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.8167	0.247	6	123.8167	0.061	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.4460	0.457	2	124.5033	0.083	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.5605	0.163	2	124.5033	0.083	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	124.5550	0.000	1	124.5550	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){2|C<3>,2|N<2>}	124.1448	1.003	6	124.3724	0.713	13	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.7202	0.629	6	124.3724	0.713	13	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	123.6510	0.000	1	124.3724	0.713	13	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	124.3420	0.051	2	124.3420	0.003	2	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0920	0.996	420	124.0553	0.979	472	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0985	0.358	4	124.0553	0.979	472	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.9300	0.000	1	124.0553	0.979	472	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7267	0.925	47	124.0553	0.979	472	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H){4|C<3>}	124.3990	0.178	2	124.3990	0.032	2	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Pt)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Pt<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Pt)(C[6a]N[6a]H)(H){2|C<3>}	126.9480	0.000	1	126.9480	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.4650	0.324	2	123.8093	0.408	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4980	0.000	1	123.8093	0.408	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.0430	0.000	1	124.0430	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	123.8195	0.186	2	123.8195	0.035	2	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0720	0.109	2	123.8912	0.742	107	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.8473	0.884	98	123.8912	0.742	107	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4280	0.337	4	123.8912	0.742	107	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4883	0.178	3	123.8912	0.742	107	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]N[6a]H)(H){2|C<3>}	125.0270	0.000	1	125.0270	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.1060	0.000	1	124.3349	0.525	95	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	123.7700	0.000	1	124.3349	0.525	95	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.3444	0.594	70	124.3349	0.525	95	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.2972	1.045	23	124.3349	0.525	95	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[4])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[4])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	124.6920	0.000	1	124.6920	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	124.7260	0.000	1	124.5815	0.061	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H){1|Rh<9>,1|C<3>,1|N<2>,2|C<4>}	124.3875	0.169	2	124.5815	0.061	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	124.8250	0.000	1	124.5815	0.061	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(H){4|C<3>}	124.6549	0.387	19	124.6549	0.150	19	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.1420	0.000	1	123.9267	0.593	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.7930	0.000	1	123.9267	0.593	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|C<2>,3|C<3>}	122.8300	0.000	1	123.9267	0.593	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	123.9317	0.695	3	123.9267	0.593	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.3300	0.000	1	124.5053	0.131	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.9220	0.000	1	124.5053	0.131	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.2640	0.000	1	124.5053	0.131	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	124.8260	0.223	2	124.5011	0.184	7	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	123.9860	0.116	2	124.5011	0.184	7	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	124.6280	0.356	3	124.5011	0.184	7	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.2770	0.236	2	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.7700	0.103	3	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.7145	0.111	2	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.4810	0.251	3	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3358	1.399	30	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5863	0.222	3	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	125.5060	0.000	1	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.1590	0.197	2	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3278	0.553	13	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0547	0.675	297	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.3790	0.000	1	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0605	0.729	131	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.1140	0.000	1	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.7660	0.365	2	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.4896	0.519	20	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5948	0.583	27	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.5647	0.980	3	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7527	1.128	112	124.0761	0.697	653	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	124.3570	0.000	1	124.3570	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	124.1620	2.342	2	126.0111	0.422	48	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	125.9160	0.264	3	126.0111	0.422	48	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	126.1037	0.407	43	126.0111	0.422	48	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	125.3620	0.000	1	125.3620	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.2690	0.000	1	124.2690	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	125.2660	0.144	6	125.2660	0.021	6	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	125.8813	0.507	9	125.8813	0.258	9	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.5560	0.000	1	124.6752	0.253	5	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	125.1800	0.226	2	124.6752	0.253	5	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H){2|C<3>}	124.0890	0.000	1	124.6752	0.253	5	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H){2|C<3>}	124.3710	0.000	1	124.6752	0.253	5	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(H){2|C<3>}	124.6817	0.367	8	124.2870	0.297	18	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(H){2|C<3>}	123.9712	0.455	10	124.2870	0.297	18	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0133	0.609	3	124.0133	0.371	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.7220	0.088	4	123.7220	0.008	4	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(H){2|C<3>}	123.1350	0.010	2	123.1350	0.000	2	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.5113	0.795	9	124.5203	0.513	55	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.6119	0.744	36	124.5203	0.513	55	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0751	0.430	8	124.5203	0.513	55	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.6940	0.233	2	124.5203	0.513	55	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	123.6550	0.000	1	123.6550	0.000	1	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.2817	0.612	3	124.2817	0.374	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	124.0157	0.456	3	124.0157	0.208	3	124.1829	0.871	1575	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){4|C<3>}	127.1130	0.000	1	127.1130	0.000	1	126.0630	2.205	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O){2|C<3>}	125.0130	0.000	1	125.0130	0.000	1	126.0630	2.205	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	125.1050	0.000	1	125.3425	0.113	2	125.2457	0.085	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	125.5800	0.000	1	125.3425	0.113	2	125.2457	0.085	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	125.0520	0.000	1	125.0520	0.000	1	125.2457	0.085	3	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(O)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	118.3020	0.317	2	118.3020	0.100	2	118.3020	0.100	2	124.2354	0.950	2158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN){2|C<3>}	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	123.4000	0.966	2	123.4000	0.933	2	123.4000	0.933	2	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|N<2>}	124.8810	0.000	1	124.8810	0.000	1	124.8810	0.000	1	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	124.6690	0.253	2	124.6690	0.064	2	124.9391	0.445	13	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CN){4|C<3>}	123.9260	0.000	1	123.9260	0.000	1	124.9391	0.445	13	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC){2|C<3>}	124.5637	0.904	3	124.5637	0.817	3	124.9391	0.445	13	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	125.3219	0.413	7	125.3219	0.171	7	124.9391	0.445	13	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NC){2|C<3>}	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC){2|C<3>}	125.9610	0.049	2	125.9610	0.002	2	124.9250	0.767	6	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]){2|C<3>}	124.8390	0.000	1	124.8390	0.000	1	124.9250	0.767	6	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(SC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]H)(SC){2|C<3>}	124.0765	0.395	2	124.0765	0.156	2	124.9250	0.767	6	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]H)(SC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){1|Se<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]H)(SC){2|C<3>}	124.6360	0.000	1	124.6360	0.000	1	124.9250	0.767	6	124.7611	0.629	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHN){4|C<3>}	126.9830	0.000	1	126.9830	0.000	1	126.9036	0.203	7	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)(CHO){4|C<3>}	126.8903	0.493	6	126.8903	0.243	6	126.9036	0.203	7	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	126.7310	0.000	1	126.7310	0.000	1	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	125.7090	0.000	1	125.7090	0.000	1	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(COO){4|C<3>}	125.8550	0.000	1	125.8550	0.000	1	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)(COO){2|C<3>}	126.5430	0.000	1	126.5430	0.000	1	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	126.6755	0.262	2	126.8768	0.177	5	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	127.0110	0.503	3	126.8768	0.177	5	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	126.4160	0.000	1	126.6903	0.114	6	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHN){2|C<3>}	126.7452	0.347	5	126.6903	0.114	6	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	125.6950	0.000	1	125.9317	0.129	7	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	125.9752	0.421	5	125.9317	0.129	7	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHO){2|C<3>}	125.9510	0.000	1	125.9317	0.129	7	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO){2|C<3>}	125.3160	0.407	3	125.3040	0.111	4	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(COO){2|C<3>}	125.2680	0.000	1	125.3040	0.111	4	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO){2|C<3>}	128.4300	0.000	1	128.4300	0.000	1	126.3160	0.585	27	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	126.0260	0.000	1	126.0260	0.000	1	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	124.9800	0.000	1	124.9800	0.000	1	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	124.8930	0.000	1	124.8930	0.000	1	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|N<2>}	125.0860	0.062	3	125.0860	0.004	3	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	126.5255	0.572	2	126.5255	0.327	2	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	126.2405	0.312	2	126.2405	0.097	2	125.6689	0.531	10	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	126.8170	0.559	2	126.0995	0.902	4	126.0990	0.677	5	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|F<1>,1|H<1>,4|C<3>}	124.9720	0.000	1	126.0995	0.902	4	126.0990	0.677	5	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	125.7920	0.000	1	126.0995	0.902	4	126.0990	0.677	5	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	126.0970	0.000	1	126.0970	0.000	1	126.0990	0.677	5	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO){2|C<3>}	125.3120	0.100	2	125.3120	0.010	2	125.3120	0.010	2	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	125.0815	1.139	2	125.0815	1.298	2	125.0815	1.298	2	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	124.9670	0.000	1	124.9670	0.000	1	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC){4|C<3>}	125.7970	0.822	2	125.7970	0.675	2	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){4|C<3>}	124.9950	0.000	1	124.9950	0.000	1	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(COO){4|C<3>}	124.9220	0.288	2	124.9220	0.083	2	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN){2|C<3>}	124.6400	0.000	1	124.6400	0.000	1	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	125.0800	0.813	8	125.0800	0.660	8	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO){2|C<3>}	127.1525	0.015	2	127.1525	0.000	2	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO){2|C<3>}	125.8830	0.000	1	125.8830	0.000	1	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(COO){4|C<3>}	124.9095	0.773	2	124.9095	0.597	2	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	127.0400	0.000	1	126.1917	0.691	3	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	125.7675	0.551	2	126.1917	0.691	3	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	124.7235	0.491	4	124.7235	0.241	4	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(COO){2|C<3>}	124.0320	0.000	1	124.0320	0.000	1	125.2924	0.841	28	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	125.1830	0.000	1	125.1830	0.000	1	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|C<4>,4|C<3>}	125.8710	0.000	1	126.5547	0.435	3	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	126.8965	0.411	2	126.5547	0.435	3	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|O<2>,6|C<3>}	125.6410	0.000	1	125.6677	0.043	3	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	125.6810	0.293	2	125.6677	0.043	3	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	125.3870	0.000	1	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	125.5320	0.000	1	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.9300	0.000	2	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	125.3170	0.000	1	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	125.6544	0.338	5	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.8260	0.000	1	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.8030	0.000	1	125.3331	0.171	12	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	126.1840	0.000	1	126.1840	0.000	1	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	126.3620	0.000	1	126.3620	0.000	1	125.6378	0.375	21	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	124.2200	0.259	2	124.2200	0.067	2	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	124.9758	0.448	6	124.9758	0.201	6	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCuC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCuC){2|C<3>}	125.0120	0.000	1	125.0120	0.000	1	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH){2|C<3>}	125.2670	0.000	1	125.2670	0.000	1	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	124.1270	0.381	4	124.1270	0.145	4	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NRuC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NRuC){2|C<3>}	124.7015	0.455	2	124.7015	0.207	2	124.6553	0.289	16	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I){2|H<1>,4|C<3>}	126.4970	0.247	3	126.4970	0.061	3	126.4970	0.061	3	125.6832	0.878	122	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH){2|C<3>}	126.6410	0.000	1	126.6410	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	126.9800	0.000	1	126.9800	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH){2|C<3>}	125.9270	0.000	1	125.9270	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH){2|C<3>}	126.2350	0.000	1	126.2350	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN){2|C<3>}	126.0828	0.093	4	126.0828	0.009	4	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	126.2348	0.220	5	126.2348	0.048	5	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN){2|C<3>}	126.6640	0.000	1	126.6640	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH){2|C<3>}	126.0370	0.000	1	126.0370	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	126.5150	0.000	1	126.3730	0.040	2	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	126.2310	0.000	1	126.3730	0.040	2	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	126.9051	0.418	12	126.8677	0.192	16	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	127.1670	0.000	1	126.8677	0.192	16	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	126.6183	0.576	3	126.8677	0.192	16	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO){2|C<3>}	125.7685	0.054	2	125.7685	0.003	2	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH){2|C<3>}	126.0360	0.000	1	126.0360	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH){2|C<3>}	126.6920	0.000	1	126.6920	0.000	1	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	126.7920	0.024	2	126.8828	0.122	4	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	126.9735	0.578	2	126.8828	0.122	4	126.5467	0.236	41	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(Cl)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(Cl){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3){1|N<2>,1|N<3>}	127.1900	0.000	1	127.1900	0.000	1	127.1900	0.000	1	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(CCHH){1|N<3>,3|C<3>}	126.3760	0.000	1	126.3760	0.000	1	126.3425	0.002	2	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	126.3090	0.000	1	126.3090	0.000	1	126.3425	0.002	2	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(CF3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|O<2>}	122.5640	0.000	1	122.5640	0.000	1	122.5640	0.000	1	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(CH3){2|C<3>}	125.9025	0.036	2	125.9025	0.001	2	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCFF)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCFF){2|C<3>}	122.9655	1.125	2	122.9655	1.266	2	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHH){4|C<3>}	126.3730	0.213	3	126.3730	0.045	3	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CH3){4|C<3>}	126.2010	0.000	1	126.2010	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH){2|C<3>}	124.7390	0.000	1	124.7390	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCHH){2|C<3>}	125.3360	0.000	1	125.3360	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	125.0335	0.016	2	125.0335	0.000	2	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CF3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CF3){2|C<3>}	123.4160	0.000	1	123.4160	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	125.4500	0.000	1	125.4500	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	126.1150	0.000	1	126.1150	0.000	1	125.2119	1.559	15	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(PC[6a]2O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(PC[6a]2O){4|C<3>}	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SC[6a]OO){4|C<3>}	124.9470	0.000	1	124.4945	0.410	2	124.4945	0.410	2	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]S)(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SC[6a]OO){4|C<3>}	124.0420	0.000	1	124.4945	0.410	2	124.4945	0.410	2	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(O)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O){1|C<3>,3|C<4>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O)	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O)	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>}	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	125.8601	2.720	65	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	124.0866	0.206	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	124.1672	0.405	15	124.1672	0.164	15	124.1672	0.164	15	124.0866	0.206	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(H){2|C<3>}	123.1960	0.000	1	123.1960	0.000	1	123.1960	0.000	1	124.0866	0.206	17	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C){1|Se<2>,1|C<2>,2|N<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	123.7330	0.262	2	123.7330	0.068	2	123.1210	0.526	4	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|S<2>}	122.5090	0.100	2	122.5090	0.010	2	123.1210	0.526	4	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|B<4>,1|C<2>,1|N<2>,1|O<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	123.3653	0.129	3	123.3653	0.017	3	123.3653	0.017	3	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	122.6245	0.285	2	122.6245	0.081	2	122.6245	0.081	2	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){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[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	121.6790	0.000	1	121.6790	0.000	1	122.0948	0.242	4	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){2|C<3>}	122.7520	0.000	1	122.2333	0.247	3	122.0948	0.242	4	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	121.9740	0.301	2	122.2333	0.247	3	122.0948	0.242	4	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	122.0615	0.015	2	122.0615	0.000	2	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	122.1368	0.518	8	122.3752	0.322	33	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	122.4515	0.571	25	122.3752	0.322	33	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	122.2587	0.412	11	122.2587	0.170	11	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	121.6508	0.230	9	121.6508	0.053	9	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	122.5258	0.245	12	122.6412	0.107	21	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	122.7951	0.371	9	122.6412	0.107	21	122.3378	0.280	76	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	122.1573	0.396	3	122.1573	0.156	3	122.1573	0.156	3	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-2:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,2|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl){1|C<3>,1|N<2>}	124.5760	0.000	1	124.5760	0.000	1	124.5760	0.000	1	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	115.4090	0.000	1	115.4090	0.000	1	115.4090	0.000	1	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){2|N<2>,2|O<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	124.1403	0.555	3	124.1403	0.308	3	124.1403	0.308	3	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<2>,1|C<3>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	122.0610	0.161	3	122.0610	0.026	3	122.0610	0.026	3	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	123.0900	0.000	1	123.0900	0.000	1	122.9340	0.084	9	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	122.9145	0.304	8	122.9145	0.092	8	122.9340	0.084	9	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|S<2>,3|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]S)(NS){1|C<3>,1|N<2>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SNi){2|C<3>}	121.6852	0.687	6	121.6852	0.472	6	121.6852	0.472	6	122.3597	1.087	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	122.5550	8.209	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2){2|C<3>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	122.5550	8.209	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	123.1896	0.625	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	122.5930	0.000	1	122.5930	0.000	1	123.2077	0.962	3	123.1896	0.625	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	124.3390	0.000	1	124.3390	0.000	1	123.2077	0.962	3	123.1896	0.625	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	122.6910	0.000	1	122.6910	0.000	1	123.2077	0.962	3	123.1896	0.625	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3){2|C<3>}	122.9335	0.645	4	122.9335	0.415	4	122.9335	0.415	4	123.1896	0.625	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1597	0.177	3	123.1597	0.031	3	123.7776	0.829	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.4723	0.406	3	123.4723	0.165	3	123.7776	0.829	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	125.1625	0.384	2	125.1625	0.147	2	123.7776	0.829	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.8503	0.251	4	122.8503	0.063	4	122.8457	0.065	15	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.8655	0.272	10	122.8440	0.072	11	122.8457	0.065	15	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.6290	0.000	1	122.8440	0.072	11	122.8457	0.065	15	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN)	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	126.5480	0.000	1	126.5480	0.000	1	126.5480	0.000	1	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.8750	0.263	2	121.8750	0.069	2	122.7653	2.413	3	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	124.5460	0.000	1	124.5460	0.000	1	122.7653	2.413	3	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.8295	0.266	6	122.8295	0.071	6	123.3777	1.179	11	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.5615	0.368	2	122.5615	0.136	2	123.3777	1.179	11	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	125.0183	0.213	3	125.0183	0.046	3	123.3777	1.179	11	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	126.5242	2.750	14	126.5242	7.563	14	126.5242	7.563	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	124.7280	0.000	1	124.7280	0.000	1	124.9475	0.051	4	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	125.0207	0.211	3	125.0207	0.044	3	124.9475	0.051	4	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	124.2483	1.524	6	124.2483	2.323	6	124.6231	2.145	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	125.8680	0.000	1	125.8680	0.000	1	124.6231	2.145	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	125.6270	0.000	1	125.6270	0.000	1	124.6231	2.145	8	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	124.3390	0.136	2	124.3390	0.018	2	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	124.3730	0.000	1	124.3730	0.000	1	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	123.8247	0.186	6	124.1394	0.415	9	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.0940	0.000	1	124.1394	0.415	9	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	125.1065	0.827	2	124.1394	0.415	9	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Pt<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	125.2320	0.000	1	125.2320	0.000	1	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(ORu)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(ORu){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Ru<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	121.0210	0.000	1	121.0210	0.000	1	124.0399	1.097	14	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.9675	0.467	2	124.9675	0.218	2	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.6720	0.000	1	124.6720	0.000	1	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){2|C<3>}	124.6202	0.187	4	124.6202	0.035	4	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){4|C<3>}	127.2560	0.000	1	127.2560	0.000	1	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.7450	0.000	1	124.6830	0.433	6	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.9630	1.247	2	124.6830	0.433	6	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.4757	0.399	3	124.6830	0.433	6	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.8240	0.158	2	124.8240	0.025	2	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	125.4800	0.000	1	125.4800	0.000	1	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(H){2|C<3>}	126.0895	0.111	2	126.0895	0.012	2	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(H){2|C<3>}	125.9436	0.490	10	125.9436	0.240	10	125.3512	0.681	29	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	126.4270	0.263	2	126.4270	0.069	2	126.4270	0.069	2	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)(H){1|N<2>,3|C<3>}	122.8770	0.000	1	122.8770	0.000	1	123.2105	0.222	2	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|N<2>}	123.5440	0.000	1	123.5440	0.000	1	123.2105	0.222	2	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(Br){4|C<3>}	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H){2|C<3>}	124.9980	0.404	2	124.9980	0.164	2	124.9980	0.164	2	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.7550	0.635	3	123.7550	0.403	3	123.9688	0.452	4	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:1:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.6100	0.000	1	124.6100	0.000	1	123.9688	0.452	4	124.5085	2.946	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(OC){2|C<3>}	125.1410	0.000	1	125.1410	0.000	1	125.1410	0.000	1	123.7355	0.452	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|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[6a](C[6a]C[6,6a]C[5a])(C[6a]N[6a]O)(CN){1|C<4>,1|S<2>,2|C<3>}	123.3700	0.000	1	123.3700	0.000	1	123.6950	0.220	10	123.7355	0.452	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|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[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	123.5890	0.243	8	123.5890	0.059	8	123.6950	0.220	10	123.7355	0.452	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<2>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]O)(CN){4|C<3>}	124.8680	0.000	1	124.8680	0.000	1	123.6950	0.220	10	123.7355	0.452	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CN){2|C<3>}	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	123.7355	0.452	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCO){4|C<3>}	125.9887	0.022	3	125.9887	0.000	3	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(COO){2|C<3>,2|N<2>}	125.0320	0.000	1	125.0320	0.000	1	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){2|C<3>}	125.4630	0.097	3	125.4630	0.009	3	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	125.0790	0.000	1	125.0790	0.000	1	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHO){2|C<3>}	125.8230	0.000	1	125.8230	0.000	1	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OPd)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OPd){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHN){2|C<3>}	120.8630	0.000	1	120.8630	0.000	1	125.1152	2.362	10	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(SC[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(SC[6a]){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S){2|C<4>,3|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S){1|C<4>,2|H<1>,3|C<3>}	126.3210	0.078	2	126.3210	0.006	2	126.3210	0.006	2	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]S)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]S)(COO){4|C<3>}	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH){2|C<3>}	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(COO){2|C<3>}	124.1840	0.000	1	124.1840	0.000	1	123.4960	0.947	2	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(CHO){2|C<3>}	122.8080	0.000	1	122.8080	0.000	1	123.4960	0.947	2	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]S){2|H<1>,6|C<3>}	124.5570	0.000	1	124.5570	0.000	1	124.5570	0.000	1	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	124.5139	6.107	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:N-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3){1|N<2>,1|N<3>}	127.5090	0.000	1	127.5090	0.000	1	127.5090	0.000	1	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O){2|C<3>,3|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	125.6930	0.098	2	125.6930	0.010	2	125.6930	0.010	2	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]O)(CC3){2|C<3>}	125.7720	0.413	2	125.7720	0.171	2	125.7720	0.171	2	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH){2|C<3>}	125.8410	0.430	8	125.8410	0.185	8	125.8651	0.148	11	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH){2|C<3>}	125.6600	0.000	1	125.6600	0.000	1	125.8651	0.148	11	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN){2|C<3>}	126.0640	0.243	2	126.0640	0.059	2	125.8651	0.148	11	125.9347	0.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:2:	3:3:	3:4:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O){2|C<3>}	124.1500	2.909	2	124.1500	8.462	2	124.1500	8.462	2	124.1500	8.462	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.8467	0.143	3	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	120.0640	0.047	2	120.0640	0.002	2	119.8467	0.143	3	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	121.3335	0.056	2	121.3335	0.003	2	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.0370	0.000	1	122.0370	0.000	1	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.5410	0.000	1	122.5410	0.000	1	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	121.5027	0.409	6	121.5027	0.167	6	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	121.0610	0.000	1	121.0610	0.000	1	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	123.1000	0.000	1	123.1000	0.000	1	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.7695	0.062	2	122.7695	0.004	2	121.8544	0.499	14	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]N[6a]C)(O){2|C<3>}	122.3640	0.617	5	122.3640	0.381	5	121.3912	5.983	6	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]N[6a]C)(O){2|C<3>}	116.5270	0.000	1	116.5270	0.000	1	121.3912	5.983	6	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	121.7470	0.175	5	121.7470	0.031	5	121.9161	0.183	13	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	122.1291	0.447	7	122.1291	0.200	7	121.9161	0.183	13	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	121.2700	0.000	1	121.2700	0.000	1	121.9161	0.183	13	121.6321	1.444	36	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	120.9565	6.312	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn2){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(SMn){2|C<3>}	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	120.9565	6.312	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|C<3>,1|N<3>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	120.8670	0.064	2	120.8670	0.004	2	121.6427	0.445	6	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	122.3000	0.000	1	122.3000	0.000	1	121.6427	0.445	6	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	121.7750	0.000	1	121.7750	0.000	1	121.6427	0.445	6	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	122.0235	0.525	2	122.0235	0.276	2	121.6427	0.445	6	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,3|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|N<2>,1|N<3>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	122.2530	0.000	1	122.2530	0.000	1	121.1150	2.590	2	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	119.9770	0.000	1	119.9770	0.000	1	121.1150	2.590	2	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	120.7895	0.274	2	120.7895	0.075	2	120.5727	8.129	4	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	120.3560	4.912	2	120.3560	24.123	2	120.5727	8.129	4	121.3575	2.652	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	120.5420	0.116	2	120.5420	0.013	2	121.2197	0.305	6	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	121.5830	0.000	1	121.5830	0.000	1	121.2197	0.305	6	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3){2|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.2197	0.305	6	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	121.5010	0.000	1	121.6645	0.053	2	121.2197	0.305	6	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	121.8280	0.000	1	121.6645	0.053	2	121.2197	0.305	6	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	121.5123	0.853	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H){1|N<3>,3|C<3>}	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	121.4460	0.000	1	120.3792	0.222	12	120.4669	0.304	13	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	120.0650	0.000	1	120.3792	0.222	12	120.4669	0.304	13	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	119.9280	0.000	1	120.3792	0.222	12	120.4669	0.304	13	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	120.3458	0.352	9	120.3792	0.222	12	120.4669	0.304	13	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	121.5190	0.000	1	121.5190	0.000	1	120.4669	0.304	13	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]O[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(O[6a]C[6a,6a])(O){4|C<3>}	122.0910	0.744	3	122.0910	0.553	3	122.0910	0.553	3	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-1:	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O)	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O){1|N<3>,1|S<2>,2|C<3>}	122.6125	0.221	2	122.6125	0.049	2	122.6125	0.049	2	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-1:	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O)	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O){1|N<3>,3|C<3>}	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl){4|C<3>}	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl){4|C<3>}	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	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[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	120.5400	0.008	2	120.5400	0.000	2	120.5400	0.000	2	121.0439	0.816	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	119.9817	0.976	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	119.6725	1.175	2	119.6725	1.379	2	119.6725	1.379	2	119.9817	0.976	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH){2|N<2>,2|N<3>}	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5]){1|C<4>,3|N<2>,3|N<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[5]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|C<3>,3|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5]){1|N<3>,5|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	122.4000	0.000	1	122.4000	0.000	1	122.4000	0.000	1	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO){1|N<3>,3|C<3>}	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|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[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	119.9880	0.461	8	119.9880	0.212	8	119.9880	0.212	8	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO){4|C<3>}	120.0890	0.000	1	120.0890	0.000	1	120.0890	0.000	1	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<3>,2|N<3>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	119.0067	0.209	3	119.0067	0.044	3	119.0067	0.044	3	120.3724	1.584	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3){4|C<3>}	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	120.8238	1.329	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3){4|C<3>}	119.3930	0.008	2	119.3930	0.000	2	120.5780	1.208	5	120.8238	1.329	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	121.6830	0.000	1	121.6830	0.000	1	120.5780	1.208	5	120.8238	1.329	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	121.2105	0.064	2	121.2105	0.004	2	120.5780	1.208	5	120.8238	1.329	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	123.0950	0.000	1	123.0950	0.000	1	123.5865	0.262	4	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){2|C<3>,2|N<2>}	123.5135	0.359	2	123.7503	0.233	3	123.5865	0.262	4	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	124.2240	0.000	1	123.7503	0.233	3	123.5865	0.262	4	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	121.2880	0.144	2	121.2880	0.021	2	121.2880	0.021	2	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]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[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]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[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H){1|N<3>,3|C<3>}	123.5740	0.078	2	123.5740	0.006	2	123.7760	0.089	4	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|N<3>,3|C<3>}	123.9780	0.314	2	123.9780	0.099	2	123.7760	0.089	4	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.6304	0.242	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<2>,3|C<3>}	123.8340	0.000	1	123.8340	0.000	1	123.6304	0.242	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.8070	0.000	1	122.8070	0.000	1	123.6304	0.242	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	123.7120	0.000	1	123.7120	0.000	1	123.6304	0.242	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	124.1190	0.000	1	124.1190	0.000	1	123.6304	0.242	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6370	0.000	1	122.6370	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ir<7>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1130	0.000	1	123.1130	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO){3|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[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.6790	0.000	1	123.6790	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	123.7860	0.000	1	123.7860	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.8460	0.052	2	123.8460	0.003	2	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){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[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.0230	0.689	2	123.0230	0.474	2	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	123.2850	0.000	1	123.2850	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	125.0570	0.042	2	125.0570	0.002	2	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<9>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.8330	0.000	1	123.8330	0.000	1	123.6821	0.617	12	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	122.4160	0.000	1	122.4160	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6310	0.000	1	122.6310	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.9270	0.000	1	121.9086	0.568	34	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.6531	0.762	21	121.9086	0.568	34	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.3542	0.555	12	121.9086	0.568	34	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.6050	0.000	1	121.6050	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.2090	0.000	1	122.2090	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.6830	0.198	2	123.6830	0.039	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.3220	0.000	1	123.3220	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.3300	0.000	1	121.3300	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1980	0.585	2	123.1980	0.343	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.4510	0.454	2	122.4510	0.206	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	119.8530	0.000	1	119.8530	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.0340	0.000	1	123.0340	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.6055	0.105	2	124.6055	0.011	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	123.6560	0.000	1	123.6560	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.8957	0.076	3	123.8957	0.006	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.3130	0.000	1	123.3130	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.2790	0.559	3	123.2790	0.313	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.3390	0.215	3	123.3390	0.046	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	125.1030	1.459	2	123.5649	0.571	36	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1487	0.759	6	123.5649	0.571	36	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.5443	0.584	28	123.5649	0.571	36	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.8393	0.278	4	123.8393	0.077	4	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.3450	0.000	1	124.3450	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2620	0.000	1	124.4560	0.036	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.5530	0.127	2	124.4560	0.036	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.5480	0.000	1	123.5480	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.3882	0.721	6	123.3882	0.520	6	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	124.7921	0.629	10	124.7921	0.396	10	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	123.7620	0.000	1	123.7620	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6673	0.185	3	124.1301	0.362	32	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2814	0.381	29	124.1301	0.362	32	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	124.0490	0.000	1	124.0490	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.4120	0.000	1	125.6017	0.819	21	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.2847	0.817	6	125.6017	0.819	21	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.9234	1.057	9	125.6017	0.819	21	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	124.6810	0.000	1	125.6017	0.819	21	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.6310	0.749	4	125.6017	0.819	21	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	124.2920	0.477	2	124.2920	0.227	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.6600	0.444	2	124.6600	0.197	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	123.9105	1.143	2	123.9105	1.307	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2270	0.000	1	124.2270	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	124.3460	0.041	2	124.3460	0.002	2	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.0370	0.000	1	124.0370	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	124.3770	0.000	1	124.0870	0.325	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	123.9420	0.724	2	124.0870	0.325	3	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	123.4080	0.000	1	123.4080	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.1450	0.000	1	124.0674	0.305	14	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.0614	0.575	13	124.0674	0.305	14	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	125.3590	0.000	1	125.3590	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.1160	0.182	2	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.1183	0.415	10	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.0963	0.440	3	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.4880	0.000	1	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	124.7272	0.175	5	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.1020	0.483	4	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.5503	1.087	3	125.6388	0.514	28	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Se<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]C)(H){2|C<3>}	124.9480	0.000	1	124.9480	0.000	1	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.6723	0.095	4	124.6723	0.009	4	123.9359	1.866	239	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	124.7237	0.521	3	124.7237	0.272	3	124.2064	0.739	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	125.2020	0.000	1	125.2020	0.000	1	124.2064	0.739	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.5695	0.635	4	123.5695	0.403	4	124.2064	0.739	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){1|N<2>,1|N<3>}	123.5103	0.518	3	123.5103	0.269	3	123.5103	0.269	3	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){4|C<3>}	123.2200	0.000	1	123.2200	0.000	1	124.9487	2.291	3	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]N[5]2){1|In<5>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){2|C<3>,2|N<3>}	125.8130	0.315	2	125.8130	0.099	2	124.9487	2.291	3	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(Br){1|N<2>,1|N<3>,2|C<3>}	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H)	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[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H){4|C<3>}	123.1635	0.115	2	123.1635	0.013	2	123.1635	0.013	2	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H){1|C<4>,3|C<3>}	122.0698	0.316	5	122.2537	0.283	6	122.3948	0.303	9	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H){4|C<3>}	123.1730	0.000	1	122.2537	0.283	6	122.3948	0.303	9	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H){4|C<3>}	122.8150	0.000	1	122.8150	0.000	1	122.3948	0.303	9	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,2|N<2>,3|C<3>}	123.1680	0.000	1	123.1680	0.000	1	122.3948	0.303	9	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	122.0480	0.000	1	122.0480	0.000	1	122.3948	0.303	9	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(Cl){4|C<3>}	121.8690	0.000	1	121.8690	0.000	1	121.8690	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<3>,5|C<3>}	122.0695	0.284	2	122.0695	0.080	2	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(H){1|O<2>,3|C<3>}	123.0570	0.000	1	123.0570	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	121.3030	0.000	1	121.3030	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|S<2>,5|C<3>}	122.5860	0.000	1	122.5860	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.6900	0.000	1	122.2587	0.256	3	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	122.5430	0.163	2	122.2587	0.256	3	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	121.4940	0.000	1	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	122.1860	0.000	1	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){4|C<3>}	121.4810	0.000	1	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){4|C<3>}	121.6087	0.184	3	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){4|C<3>}	121.4160	0.000	1	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){4|C<3>}	122.2590	0.000	1	121.7078	0.116	8	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.9610	0.000	1	121.9610	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	120.8760	0.000	1	120.8760	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(H){4|C<3>}	121.6460	0.102	2	121.6460	0.010	2	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H){1|N<2>,3|C<3>}	121.5270	0.016	2	121.5513	0.109	6	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H){1|N<2>,3|C<3>}	121.5635	0.425	4	121.5513	0.109	6	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]H)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]H)(H){1|N<2>,3|C<3>}	122.5970	0.000	1	122.5970	0.000	1	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	122.6550	0.000	1	122.4750	0.065	2	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	122.2950	0.000	1	122.4750	0.065	2	121.8796	0.285	29	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	121.8110	0.339	2	121.8110	0.115	2	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	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[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	121.4930	0.208	2	121.4930	0.043	2	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	122.7410	0.000	1	121.7988	0.530	6	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	121.4990	0.000	1	121.7988	0.530	6	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	121.6382	0.723	4	121.7988	0.530	6	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	122.5170	0.000	1	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	121.5190	0.127	2	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	122.0820	0.134	2	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	121.9800	0.000	1	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	122.8960	0.000	1	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Pd<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	122.3485	0.650	2	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Rh<5>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	120.8190	0.000	1	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|Ru<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){4|C<3>}	121.6130	0.096	2	121.9447	0.356	12	121.8517	0.338	22	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Br)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Br){4|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Cl)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(Cl){4|C<3>}	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(F)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(F){4|C<3>}	119.7010	0.000	1	119.7010	0.000	1	119.7010	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.6740	0.214	2	121.6740	0.046	2	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.7720	0.000	1	122.0751	0.428	18	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.3530	0.000	1	122.0751	0.428	18	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	121.1410	0.366	2	122.0751	0.428	18	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.1389	0.606	14	122.0751	0.428	18	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.6380	0.000	1	122.6380	0.000	1	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	121.5717	1.034	8	121.5717	1.068	8	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]N[6a])(H){3|C<4>,4|C<3>}	122.1190	0.000	1	122.1190	0.000	1	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|Fe<10>,2|C<4>,4|C<3>}	121.8935	0.110	2	121.5967	0.270	3	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	121.0030	0.000	1	121.5967	0.270	3	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	120.3900	0.000	1	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.8722	0.270	6	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.8993	0.592	3	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.2850	0.000	1	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	120.8360	0.462	3	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.9954	0.366	9	121.6988	0.353	23	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.8008	0.434	5	121.8256	0.205	32	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.9440	0.000	1	121.8256	0.205	32	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.8624	0.510	8	121.8256	0.205	32	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.7800	0.000	1	121.8256	0.205	32	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.8112	0.484	17	121.8256	0.205	32	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.9190	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.7610	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]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[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.1150	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	122.6170	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.1880	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.9600	0.000	1	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	121.9645	0.111	2	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(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]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.5327	0.852	3	122.4625	0.274	11	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	123.0860	0.000	1	123.0860	0.000	1	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.4660	0.000	1	121.4660	0.000	1	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.9270	0.000	1	121.7840	0.041	2	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	121.6410	0.000	1	121.7840	0.041	2	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){4|C<3>}	121.0710	0.000	1	121.0710	0.000	1	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.0770	0.000	1	122.2583	0.033	3	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.3490	0.129	2	122.2583	0.033	3	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	124.0900	0.151	2	124.0900	0.023	2	121.9408	0.476	109	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){6|C<3>}	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	121.1470	0.000	1	122.5301	0.324	18	122.5301	0.324	18	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.5837	0.467	16	122.5301	0.324	18	122.5301	0.324	18	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	123.0540	0.000	1	122.5301	0.324	18	122.5301	0.324	18	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,1|N<3>,4|C<3>}	123.3270	0.000	1	123.3270	0.000	1	123.3270	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	123.8020	0.000	1	123.8020	0.000	1	123.8020	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	123.7500	0.000	1	123.7500	0.000	1	123.4022	0.222	16	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.7615	0.291	8	123.7615	0.085	8	123.4022	0.222	16	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.2120	0.000	1	123.2120	0.000	1	123.4022	0.222	16	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.8970	0.060	6	122.8970	0.004	6	123.4022	0.222	16	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.6640	0.000	1	121.6640	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	122.2960	0.492	2	122.2960	0.242	2	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.1960	0.000	1	123.1960	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.1735	0.319	2	123.7033	0.199	10	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	124.0345	0.742	2	123.7033	0.199	10	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.7695	0.259	6	123.7033	0.199	10	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	124.6055	0.841	2	124.6055	0.707	2	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.7313	0.554	17	123.7313	0.307	17	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.7405	0.721	2	123.7405	0.519	2	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){4|C<3>}	122.7330	0.000	1	122.7330	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H){2|C<3>}	123.5880	0.000	1	123.5880	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.8240	0.003	2	123.8240	0.000	2	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.2561	0.598	7	123.2561	0.358	7	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	123.1060	0.000	1	123.1060	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	116.8680	0.000	1	116.8680	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.8024	0.300	8	122.7660	0.091	9	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.4750	0.000	1	122.7660	0.091	9	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.4062	0.216	4	122.2824	0.112	5	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.7870	0.000	1	122.2824	0.112	5	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.9120	0.000	1	123.9120	0.000	1	123.2312	1.209	63	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5]){1|Rh<6>,1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)(H){4|C<3>}	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[5]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	125.1220	0.000	1	125.1220	0.000	1	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,3|C<3>}	124.5220	0.000	1	124.5220	0.000	1	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){2|C<3>,2|C<4>}	122.2630	0.071	2	124.2553	2.515	6	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	125.8850	0.000	1	124.2553	2.515	6	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	125.1680	0.163	2	124.2553	2.515	6	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	124.7850	0.000	1	124.2553	2.515	6	124.3970	1.891	8	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	120.9135	0.025	2	120.9135	0.001	2	120.9135	0.001	2	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F){2|C<3>,2|C<4>}	118.0920	0.000	1	118.6320	0.238	3	118.6320	0.238	3	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(F){2|C<3>,2|C<4>}	118.9020	0.197	2	118.6320	0.238	3	118.6320	0.238	3	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	122.1890	0.000	1	122.1890	0.000	1	122.1919	0.087	7	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	122.0660	0.000	1	122.0660	0.000	1	122.1919	0.087	7	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	121.8975	0.081	2	121.8975	0.007	2	122.1919	0.087	7	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N[6])(H){2|C<3>,2|C<4>}	122.4310	0.277	3	122.4310	0.077	3	122.1919	0.087	7	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[6]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])(H){1|N<2>,1|N<3>,2|C<4>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H){2|C<3>}	124.9700	0.000	1	124.9700	0.000	1	124.9700	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SOs2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SOs2){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H){2|C<3>}	124.7520	0.000	1	124.7520	0.000	1	124.7520	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,1|N<2>,2|C<3>}	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H)	C[6a](N[6a]C[6a,6a])(N[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])(H){4|C<3>}	124.0582	0.609	5	124.0582	0.371	5	124.0582	0.371	5	123.1351	2.038	589	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CN){2|C<3>}	120.2443	1.493	3	120.2443	2.230	3	120.2443	2.230	3	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN){4|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH){4|C<3>}	121.7020	0.000	1	121.7020	0.000	1	121.9190	0.094	2	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OP){4|C<3>}	122.1360	0.000	1	122.1360	0.000	1	121.9190	0.094	2	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC[6a]){6|C<3>}	122.7085	0.564	2	122.7085	0.318	2	122.1613	0.417	6	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SS)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SS){6|C<3>}	122.3470	0.058	2	122.3470	0.003	2	122.1613	0.417	6	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(SC)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(SC){4|C<3>}	121.4285	0.149	2	121.4285	0.022	2	122.1613	0.417	6	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	122.3720	0.000	1	122.3720	0.000	1	122.3015	0.189	4	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	122.5620	0.279	2	122.5620	0.078	2	122.3015	0.189	4	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|C<2>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|N<2>,2|C<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	121.7100	0.000	1	121.7100	0.000	1	122.3015	0.189	4	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	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[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	121.8820	0.881	2	121.8820	0.776	2	121.5924	0.354	5	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	120.9820	0.000	1	120.9820	0.000	1	121.5924	0.354	5	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N){1|C<2>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	121.6080	0.317	2	121.6080	0.100	2	121.5924	0.354	5	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	121.3810	0.000	1	121.3810	0.000	1	121.3320	0.010	3	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	121.3990	0.000	1	121.3990	0.000	1	121.3320	0.010	3	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	121.2160	0.000	1	121.2160	0.000	1	121.3320	0.010	3	121.6962	0.771	25	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|S<2>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<2>,2|H<1>,3|C<3>}	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	121.9380	0.000	1	121.9380	0.000	1	124.6718	3.343	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	125.6870	0.000	2	125.6870	0.000	2	124.6718	3.343	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO){2|C<3>}	125.3750	0.000	1	125.3750	0.000	1	124.6718	3.343	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(COO)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(COO){1|C<4>,3|C<3>}	121.7910	0.000	1	121.7910	0.000	1	121.7910	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)(CCO){4|C<3>}	123.5960	0.000	1	123.5960	0.000	1	122.7850	1.103	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O){4|C<3>}	123.7390	0.000	1	123.7390	0.000	1	122.7850	1.103	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){6|C<3>}	121.5990	0.000	1	121.5990	0.000	1	122.7850	1.103	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO){1|N<2>,3|C<3>}	122.2060	0.000	1	122.2060	0.000	1	122.7850	1.103	4	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	122.8960	0.197	2	122.8960	0.039	2	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	122.8670	0.000	1	122.8670	0.000	1	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	123.3120	0.000	1	122.5860	1.054	2	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.8600	0.000	1	122.5860	1.054	2	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.6495	0.111	2	122.6495	0.012	2	122.7469	0.178	8	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)(COO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)(COO){1|C<4>,3|C<3>}	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CC[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CC[6a]C){4|C<3>}	123.8370	0.192	2	123.8370	0.037	2	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(COO){4|C<3>}	122.1367	0.109	3	122.1367	0.012	3	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O){4|C<3>}	121.8305	0.551	2	121.8305	0.303	2	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CHO){4|C<3>}	122.6450	0.000	1	122.6450	0.000	1	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CNO){4|C<3>}	122.3590	0.000	1	122.3590	0.000	1	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(COO){4|C<3>}	121.9390	0.000	1	121.9390	0.000	1	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCO){4|C<3>}	123.4250	0.000	1	123.4250	0.000	1	122.5557	0.641	11	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.8810	0.000	1	121.8810	0.000	1	122.7166	0.318	7	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.4425	0.125	2	123.4425	0.016	2	122.7166	0.318	7	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.5625	0.126	4	122.5625	0.016	4	122.7166	0.318	7	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO){4|C<3>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	125.1860	0.000	1	125.1860	0.000	1	125.1860	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	122.1900	0.000	1	122.1900	0.000	1	122.2320	0.004	2	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.2320	0.004	2	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	123.1160	0.000	1	123.1160	0.000	1	123.3630	0.085	3	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	123.6840	0.000	1	123.6840	0.000	1	123.3630	0.085	3	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]N){2|C<4>,4|C<3>}	123.2890	0.000	1	123.2890	0.000	1	123.3630	0.085	3	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	123.6120	0.000	1	123.6120	0.000	1	126.5172	8.227	5	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	123.2060	0.000	1	123.2060	0.000	1	126.5172	8.227	5	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	128.5893	0.559	3	128.5893	0.312	3	126.5172	8.227	5	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	123.2035	3.201	52	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN){2|C<3>}	123.7860	0.000	1	123.7860	0.000	1	124.1077	0.290	3	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3){2|C<3>}	123.8080	0.000	1	123.8080	0.000	1	124.1077	0.290	3	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3){2|C<3>}	124.7290	0.000	1	124.7290	0.000	1	124.1077	0.290	3	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CCHH){4|C<3>}	122.7070	0.000	1	122.7070	0.000	1	123.5730	0.909	3	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3){1|N<2>,3|C<3>}	124.0060	0.833	2	124.0060	0.694	2	123.5730	0.909	3	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){6|C<3>}	123.3740	0.000	1	123.3740	0.000	1	123.3740	0.000	1	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){6|C<3>}	123.8110	0.000	1	123.8110	0.000	1	123.3926	0.117	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){6|C<3>}	123.4860	0.000	1	123.4860	0.000	1	123.3926	0.117	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	123.4480	0.127	3	123.2506	0.124	5	123.3926	0.117	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	122.9545	0.415	2	123.2506	0.124	5	123.3926	0.117	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH){4|C<3>}	123.5910	0.000	1	123.5910	0.000	1	123.3926	0.117	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SCOO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SCOO){6|C<3>}	121.7060	0.161	3	121.7060	0.026	3	121.6993	0.039	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC[6a]OO){6|C<3>}	121.7875	0.129	4	121.7875	0.017	4	121.6993	0.039	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(SC[6a]OO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(SC[6a]OO){4|C<3>}	121.3260	0.000	1	121.3260	0.000	1	121.6993	0.039	8	122.9196	1.042	23	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.2855	0.335	2	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(Cl){2|C<3>}	118.8760	0.000	1	118.8760	0.000	1	119.2855	0.335	2	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	121.2560	0.000	1	121.2560	0.000	1	122.1646	0.265	5	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]FF){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.3410	0.000	1	122.3410	0.000	1	122.1646	0.265	5	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.4420	0.127	2	122.4420	0.016	2	122.1646	0.265	5	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(H){2|C<3>}	122.3420	0.000	1	122.3420	0.000	1	122.1646	0.265	5	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:I-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I){2|C<3>}	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(H){2|C<3>}	122.2423	0.260	3	122.2423	0.068	3	122.2423	0.068	3	121.4625	1.754	11	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	120.5581	0.626	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	120.1810	0.000	1	120.1810	0.000	1	120.6953	1.205	3	120.5581	0.626	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CF3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	121.9560	0.000	1	121.9560	0.000	1	120.6953	1.205	3	120.5581	0.626	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	119.9490	0.000	1	119.9490	0.000	1	120.6953	1.205	3	120.5581	0.626	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:2:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:S-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC){2|C<3>}	120.4783	0.791	4	120.4783	0.626	4	120.4783	0.626	4	120.5581	0.626	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CF3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	123.1930	0.000	1	123.1930	0.000	1	120.7278	1.579	6	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	120.8940	0.000	1	120.8940	0.000	1	120.7278	1.579	6	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	120.1365	0.004	2	120.1365	0.000	2	120.7278	1.579	6	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	120.1440	0.000	1	120.1440	0.000	1	120.7278	1.579	6	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	119.8630	0.000	1	119.8630	0.000	1	120.7278	1.579	6	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	120.5696	1.491	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	121.8565	0.317	2	121.8565	0.101	2	121.8565	0.101	2	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH){2|C<3>}	122.6050	0.100	2	122.6050	0.010	2	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	123.0050	0.000	1	123.0050	0.000	1	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	122.1200	0.000	1	122.1355	0.000	2	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	122.1510	0.000	1	122.1355	0.000	2	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	122.5175	0.040	2	122.3822	0.686	4	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|Si<4>,1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	122.2470	1.409	2	122.3822	0.686	4	122.4461	0.330	9	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	121.6612	0.159	4	121.3532	0.095	10	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	121.0607	0.138	4	121.3532	0.095	10	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	121.3220	0.011	2	121.3532	0.095	10	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	121.6490	0.000	1	121.6490	0.000	1	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	121.4910	0.000	1	121.4910	0.000	1	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	121.7217	0.428	18	121.5630	0.668	22	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	120.8485	1.675	4	121.5630	0.668	22	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	121.8010	1.929	4	121.8010	3.721	4	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	121.9753	0.511	20	121.9753	0.261	20	121.6856	0.600	58	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC){2|C<3>}	121.5920	0.000	1	121.5920	0.000	1	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCoCC){2|C<3>}	122.2395	0.240	2	122.2395	0.057	2	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PNiCC){2|C<3>}	123.0035	0.053	2	123.0035	0.003	2	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO){2|C<3>}	120.6860	0.000	1	120.6860	0.000	1	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPdCC){2|C<3>}	122.3738	0.260	8	122.3738	0.068	8	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PPtCC){2|C<3>}	122.2000	0.977	10	122.2000	0.955	10	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PReCC){2|C<3>}	121.3105	0.617	2	121.3105	0.381	2	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	2:3:4:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PRhCC){2|C<3>}	122.2678	0.549	4	122.2678	0.301	4	122.1815	0.559	30	121.9085	0.621	99	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	125.0935	0.019	2	125.0935	0.000	2	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.4160	0.000	1	126.4160	0.000	1	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.2950	0.102	2	122.2950	0.010	2	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.5260	0.000	1	122.5260	0.000	1	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.1420	0.066	2	122.6004	0.138	7	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.3838	0.018	5	122.6004	0.138	7	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.0850	0.000	1	122.0850	0.000	1	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	124.0180	0.423	2	123.7604	2.103	8	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	124.5803	0.138	3	123.7604	2.103	8	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	124.0210	0.000	1	123.7604	2.103	8	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.1425	2.655	2	123.7604	2.103	8	123.3677	1.944	22	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.5970	0.068	2	122.5970	0.005	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.3395	0.012	2	122.3395	0.000	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.2920	0.000	1	122.2920	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	123.4490	0.000	1	123.4490	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.1010	0.000	1	126.1010	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	125.5060	0.000	1	125.5060	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	123.4205	0.392	2	123.8847	0.723	3	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.8130	0.000	1	123.8847	0.723	3	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	122.3600	0.000	1	122.3600	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.0190	0.231	2	123.0190	0.053	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.6588	0.163	5	122.5210	0.135	6	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.8320	0.000	1	122.5210	0.135	6	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.0810	0.000	1	122.3262	0.052	5	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.2740	0.209	2	122.3262	0.052	5	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.5010	0.190	2	122.3262	0.052	5	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<2>,3|C<3>}	121.9400	0.000	1	121.9400	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.6170	0.000	1	122.6170	0.000	1	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	123.5695	0.093	2	123.5695	0.009	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.5810	0.000	1	122.6552	0.070	23	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.6585	0.270	22	122.6552	0.070	23	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	122.4685	0.312	2	122.4685	0.097	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	120.7420	0.000	1	122.6750	7.473	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	124.6080	0.000	1	122.6750	7.473	2	122.8057	0.697	57	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.1040	0.000	1	122.1040	0.000	1	122.1040	0.000	1	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.2590	0.000	1	123.2590	0.000	1	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.1400	0.593	2	125.1400	0.351	2	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.8270	0.000	1	125.0120	0.068	2	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.1970	0.000	1	125.0120	0.068	2	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.0750	0.000	1	122.0075	0.009	2	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|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[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.9400	0.000	1	122.0075	0.009	2	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.8540	0.000	1	122.1037	0.441	3	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.7285	0.193	2	122.1037	0.441	3	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.7255	0.152	4	122.7255	0.023	4	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Cu<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.0210	0.000	1	122.2818	4.071	5	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|H<1>,1|W<6>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.5520	0.000	1	122.2818	4.071	5	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	118.8860	0.000	1	122.2818	4.071	5	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.3340	0.000	1	122.2818	4.071	5	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.6160	0.000	1	122.2818	4.071	5	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.1401	0.448	7	122.1401	0.201	7	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.2350	0.348	4	121.2350	0.121	4	122.5374	1.898	30	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.1530	0.000	1	123.1530	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.1240	0.000	1	124.1240	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	122.6450	0.000	1	122.6450	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.3143	0.160	3	122.3143	0.026	3	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.7750	0.000	1	123.7750	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.2675	0.083	2	122.2675	0.007	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	120.8620	0.000	1	120.8620	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6120	0.000	1	122.2556	0.180	9	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.9660	0.525	2	122.2556	0.180	9	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.2927	0.415	6	122.2556	0.180	9	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.3910	0.011	2	123.3910	0.000	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6070	0.000	1	122.6070	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.3730	0.000	1	122.3730	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CS){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	123.1615	1.566	2	123.1615	2.453	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.2745	0.353	2	123.2745	0.125	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.4390	0.188	4	124.4390	0.035	4	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.5910	0.000	1	124.3710	0.072	4	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2977	0.274	3	124.3710	0.072	4	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCl3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.6280	0.000	1	124.6280	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.8340	0.213	8	125.6743	0.135	32	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.8230	0.000	1	125.6743	0.135	32	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.8113	0.396	11	125.6743	0.135	32	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.4298	0.323	12	125.6743	0.135	32	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.7905	0.145	2	125.7905	0.021	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	126.7880	0.000	1	126.7880	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	126.5132	0.126	5	126.5132	0.016	5	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.7300	0.000	1	124.7300	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	125.4573	0.356	6	125.4573	0.127	6	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.9530	0.151	2	121.9530	0.023	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	120.9140	2.138	2	120.9140	4.572	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.7365	0.771	33	121.7369	0.577	34	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.7530	0.000	1	121.7369	0.577	34	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	123.4610	0.000	1	123.4610	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.0240	0.045	2	123.0240	0.002	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	120.7520	0.417	2	121.7511	0.299	13	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.9327	0.324	11	121.7511	0.299	13	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.4800	0.000	1	120.9755	4.527	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	119.4710	0.000	1	120.9755	4.527	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(C[6a]N[6a]C)(H){1|N<2>,1|N<3>,2|C<3>}	121.9230	0.000	1	121.9230	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(H){1|N<2>,1|O<2>,2|C<3>}	121.9510	0.000	1	121.9510	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(H){2|C<3>}	122.2150	0.000	1	122.2150	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.9280	0.000	1	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.2510	0.000	1	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.7990	0.548	7	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.8494	0.574	9	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6200	0.247	2	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.4613	0.547	3	121.9583	0.437	23	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	123.1910	0.000	1	122.6635	0.557	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	122.1360	0.000	1	122.6635	0.557	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]C)(H){2|C<3>}	122.4410	0.000	1	122.4410	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.9380	0.244	6	121.9380	0.059	6	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.5178	0.830	18	122.5091	0.652	19	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	122.3530	0.000	1	122.5091	0.652	19	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.7928	0.347	5	122.4859	0.155	14	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.3154	0.317	9	122.4859	0.155	14	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.9890	0.583	2	122.9890	0.339	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.4820	0.000	1	122.4820	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	123.1855	0.488	4	123.1855	0.238	4	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.2145	1.146	2	123.2145	1.314	2	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.9670	0.000	1	123.1675	0.094	50	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1008	0.261	8	123.1675	0.094	50	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1855	0.318	41	123.1675	0.094	50	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.0323	0.396	3	123.0323	0.157	3	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.7900	0.000	1	122.5764	0.206	5	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.7730	0.130	4	122.5764	0.206	5	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.8520	0.000	1	123.8520	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.7810	0.000	1	123.7810	0.000	1	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.2040	0.273	3	123.2040	0.074	3	123.0783	2.177	280	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I){4|C<3>}	123.8110	0.000	1	123.8110	0.000	1	123.8110	0.000	1	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	124.1420	0.000	1	124.1420	0.000	1	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.6810	0.000	1	123.6810	0.000	1	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.6870	0.000	1	123.6870	0.000	1	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]FF){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	125.4825	0.015	2	125.4825	0.000	2	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.5360	0.000	1	123.5360	0.000	1	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	123.7048	0.261	13	123.7048	0.068	13	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.0100	0.000	1	123.0100	0.000	1	123.8592	0.388	20	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	123.2087	0.954	7	123.2087	0.909	7	123.1112	0.855	8	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	122.4290	0.000	1	122.4290	0.000	1	123.1112	0.855	8	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])(H){1|C<2>,2|C<3>,2|C<4>}	122.7010	0.000	1	122.7010	0.000	1	122.3720	0.216	2	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[3])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	122.0430	0.000	1	122.0430	0.000	1	122.3720	0.216	2	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	121.8880	0.000	1	121.8880	0.000	1	123.0958	0.661	4	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	123.4490	0.000	1	123.4983	0.019	3	123.0958	0.661	4	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	123.6550	0.000	1	123.4983	0.019	3	123.0958	0.661	4	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	123.3910	0.000	1	123.4983	0.019	3	123.0958	0.661	4	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	123.3703	0.177	3	123.3703	0.031	3	123.3703	0.031	3	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H){2|C<3>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O){2|C<3>}	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H){2|C<3>}	126.1820	0.643	2	126.1820	0.414	2	125.9630	0.351	3	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]S)(H){2|C<3>}	125.5250	0.000	1	125.5250	0.000	1	125.9630	0.351	3	123.0793	1.884	434	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	123.5810	0.072	2	123.5810	0.005	2	123.5810	0.005	2	123.5810	0.005	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){4|C<3>}	125.3660	0.717	2	125.3660	0.514	2	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CF3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	124.7600	0.000	1	124.7600	0.000	1	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]C)(COO){2|C<3>}	121.9940	0.000	1	121.9940	0.000	1	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	121.8695	0.301	2	121.8695	0.090	2	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	122.2185	0.183	2	122.2185	0.034	2	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|S<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	122.2022	0.375	4	122.2022	0.140	4	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){1|N<2>,3|C<3>}	121.8950	0.000	1	121.8950	0.000	1	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO){2|C<3>}	124.0720	0.000	1	124.0720	0.000	1	122.8884	1.914	14	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	122.1150	0.000	1	122.1150	0.000	1	121.6480	0.228	3	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]C)(CCO){1|C<3>,1|C<4>}	121.1610	0.000	1	121.1610	0.000	1	121.6480	0.228	3	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(COO){2|C<3>}	121.6680	0.000	1	121.6680	0.000	1	121.6480	0.228	3	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(COO){2|C<3>}	122.6730	0.000	1	122.6730	0.000	1	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	122.7492	0.237	6	122.7411	0.038	10	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	122.7290	0.144	4	122.7411	0.038	10	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	122.1680	0.000	1	122.1680	0.000	1	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	122.5417	0.315	3	122.5417	0.099	3	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	122.5495	0.281	19	122.5495	0.079	19	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CC[3]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CC[3]O){4|C<3>}	122.2840	0.000	1	122.2840	0.000	1	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	122.2380	0.150	3	122.2380	0.022	3	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO){2|C<3>}	122.1460	0.365	2	122.3073	0.145	3	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCO){2|C<3>}	122.6300	0.000	1	122.3073	0.145	3	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN){2|C<3>}	122.7335	0.056	2	122.7335	0.003	2	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCO){2|C<3>}	122.9050	0.000	1	122.9050	0.000	1	122.5593	0.083	44	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|N<3>,4|C<3>}	123.4970	0.000	1	123.4970	0.000	1	123.4970	0.000	1	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H){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[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	122.6254	0.555	64	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	123.1680	0.000	1	122.8855	0.160	2	123.9580	1.209	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	122.6030	0.000	1	122.8855	0.160	2	123.9580	1.209	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH){2|C<3>}	125.8360	0.000	1	125.8360	0.000	1	123.9580	1.209	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,3|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.9580	1.209	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|N<2>}	124.1195	0.022	2	124.1195	0.000	2	123.9580	1.209	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|C<4>}	122.9050	0.747	3	122.9050	0.559	3	122.9050	0.559	3	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCCH){2|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.3657	0.281	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){4|C<3>}	123.1750	0.000	1	123.1750	0.000	1	123.3657	0.281	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH){2|C<3>}	124.1930	0.000	1	124.1930	0.000	1	123.3657	0.281	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH){2|C<3>}	122.8540	0.240	2	122.8540	0.058	2	123.3657	0.281	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	123.4380	0.000	1	123.4380	0.000	1	123.3657	0.281	6	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(PO3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]P)(CF3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(PO3){2|C<3>}	124.2920	0.000	1	124.2920	0.000	1	124.2920	0.000	1	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:3:4:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(C[3]C[3]2H){3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO){1|H<1>,2|C<4>,4|C<3>}	123.0815	0.701	2	123.0815	0.491	2	123.0815	0.491	2	123.5062	0.733	18	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:2:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	120.7690	0.000	1	120.7690	0.000	1	121.0860	0.201	2	121.0860	0.201	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:2:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Mn<8>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Mn<8>,2|C<3>,2|C<4>}	121.4030	0.000	1	121.4030	0.000	1	121.0860	0.201	2	121.0860	0.201	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a,6a])(CC[6a]P[6]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H){1|Fe<10>,2|C<3>,2|C<4>}	122.4060	0.191	2	122.3401	0.119	15	122.3401	0.119	15	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Fe<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H){1|Fe<10>,2|C<3>,2|C<4>}	122.3780	0.000	1	122.3401	0.119	15	122.3401	0.119	15	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H){1|Fe<10>,2|C<3>,2|C<4>}	121.8970	0.000	1	122.3401	0.119	15	122.3401	0.119	15	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|Zn<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H){1|Fe<10>,2|C<3>,2|C<4>}	121.9905	0.029	2	122.3401	0.119	15	122.3401	0.119	15	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6,6a]H)(H){1|Fe<10>,2|C<3>,2|C<4>}	122.4482	0.365	9	122.3401	0.119	15	122.3401	0.119	15	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	122.9935	0.303	2	122.2143	0.517	10	122.2718	0.502	11	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	121.0925	0.323	2	122.2143	0.517	10	122.2718	0.502	11	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	122.3285	0.360	6	122.2143	0.517	10	122.2718	0.502	11	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	122.8470	0.000	1	122.8470	0.000	1	122.2718	0.502	11	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	2:4:3:	3:3:	3:3:1:	N[6a]-2:C[6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6]C[6]2Ru)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](N[6a]C[5,6a])(C[6]C[6]2Ru)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6]){1|Ru<11>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[5,6a]H)(H){1|Ru<11>,2|C<3>,2|C<4>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	122.3903	0.338	28	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	2:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]Cl){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	127.3620	0.949	2	127.3620	0.900	2	127.3620	0.900	2	126.6685	0.946	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	2:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	125.9750	0.120	2	125.9750	0.014	2	125.9750	0.014	2	126.6685	0.946	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	120.8658	0.325	5	120.9735	0.154	6	120.9735	0.154	6	120.9735	0.154	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|S<2>}	121.5120	0.000	1	120.9735	0.154	6	120.9735	0.154	6	120.9735	0.154	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H){1|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	121.9195	0.213	2	121.9195	0.045	2	121.9195	0.045	2	121.9195	0.045	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>}	125.1680	0.078	2	125.1680	0.006	2	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>}	124.6010	0.342	3	124.5786	0.137	24	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){2|N<2>}	124.7670	0.000	1	124.5786	0.137	24	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|N<2>,1|N<3>}	124.5271	0.358	19	124.5786	0.137	24	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<2>,1|N<2>}	125.3020	0.000	1	124.5786	0.137	24	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H){1|Cl<1>,1|N<2>}	126.5420	0.000	1	126.5420	0.000	1	124.6950	0.282	27	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.3530	0.000	1	124.3530	0.000	1	123.7356	3.335	28	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>}	123.4650	0.000	1	123.4650	0.000	1	123.7356	3.335	28	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<4>,1|N<2>}	123.3085	0.598	2	123.7223	3.583	26	123.7356	3.335	28	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>}	123.7638	2.057	22	123.7223	3.583	26	123.7356	3.335	28	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.6800	0.065	2	123.7223	3.583	26	123.7356	3.335	28	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I)	N[6a](C[6a]C[6a]I)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]I)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<4>,1|N<2>}	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	124.1939	2.009	56	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]S)(N[6a]N[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC){1|Cl<1>,1|N<2>}	126.1120	0.000	1	126.1120	0.000	1	126.1120	0.000	1	123.1093	5.072	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	122.8360	0.132	2	122.1083	1.597	3	122.1083	1.597	3	123.1093	5.072	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	120.6530	0.000	1	122.1083	1.597	3	122.1083	1.597	3	123.1093	5.072	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	126.0495	0.146	2	126.0495	0.021	2	125.0333	1.404	4	125.7103	3.238	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	124.0170	0.246	2	124.0170	0.061	2	125.0333	1.404	4	125.7103	3.238	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:S[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]S[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a])	C[6a](C[6a]N[6a]Cl)2(CHH)	C[6a](C[6a]C[6a]C)(N[6a]S[6a])(Cl){1|Cl<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a]){2|C<3>}	C[6a](C[6a]N[6a]Cl)2(CHH){1|S<2>}	128.2770	0.264	2	128.2770	0.070	2	128.2770	0.070	2	125.7103	3.238	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|H<1>,1|N<2>}	124.0310	0.000	1	124.0310	0.000	1	124.0310	0.000	1	125.7103	3.238	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	125.7103	3.238	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(Cl){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<2>}	126.0730	0.000	1	126.0730	0.000	1	126.0730	0.000	1	125.4710	0.725	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:2:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<2>}	124.8690	0.000	1	124.8690	0.000	1	124.8690	0.000	1	125.4710	0.725	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	122.8190	0.000	1	122.8190	0.000	1	122.8190	0.000	1	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(Cl){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	122.5230	0.000	1	122.5230	0.000	1	122.5230	0.000	1	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(H){1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]N[6a])(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[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H){1|C<4>,4|C<3>}	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	123.8400	0.000	1	123.8973	0.269	13	123.8973	0.269	13	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<3>,4|C<3>}	123.3620	0.000	1	123.8973	0.269	13	123.8973	0.269	13	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.0681	0.395	10	123.8973	0.269	13	123.8973	0.269	13	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.7820	0.000	1	123.8973	0.269	13	123.8973	0.269	13	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])(H){2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	122.7455	0.005	2	122.7455	0.000	2	122.7455	0.000	2	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O)	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]O)	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O){1|N<3>,1|S<2>,2|C<3>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]N[5,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.3415	0.299	2	116.3415	0.089	2	116.3415	0.089	2	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O)	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O){1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]N[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.5140	0.000	1	116.5140	0.000	1	116.5140	0.000	1	122.6181	6.834	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:4:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Fe<10>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.6010	0.000	1	123.6010	0.000	1	123.5520	0.005	2	123.5520	0.005	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	2:4:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(H){1|Mn<8>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Mn)(C[6a]N[6a]H){2|C<3>,2|C<4>,2|H<1>}	123.5030	0.000	1	123.5030	0.000	1	123.5520	0.005	2	123.5520	0.005	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	122.0735	0.213	2	122.0413	0.026	3	122.0344	0.402	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	121.9770	0.000	1	122.0413	0.026	3	122.0344	0.402	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	123.5940	0.000	1	123.5940	0.000	1	122.0344	0.402	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.8540	0.356	5	121.7710	0.143	6	122.0344	0.402	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	121.3560	0.000	1	121.7710	0.143	6	122.0344	0.402	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-2:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br)	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C){1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O){2|N<3>}	125.0467	0.521	3	125.0467	0.272	3	125.0467	0.272	3	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|N<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|S<2>}	123.0380	0.000	1	123.0380	0.000	1	121.5175	4.624	2	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|S<2>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,2|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|N<2>}	119.9970	0.000	1	119.9970	0.000	1	121.5175	4.624	2	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	123.5390	0.000	1	124.4080	0.388	4	124.1065	0.205	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	124.6977	0.280	3	124.4080	0.388	4	124.1065	0.205	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.9341	0.228	7	123.9341	0.052	7	124.1065	0.205	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	121.6500	0.000	1	121.0299	0.128	10	121.0299	0.128	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	120.7060	0.000	1	121.0299	0.128	10	121.0299	0.128	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	120.9145	0.071	2	121.0299	0.128	10	121.0299	0.128	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|N<3>}	121.1220	0.000	1	121.0299	0.128	10	121.0299	0.128	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	120.9984	0.393	5	121.0299	0.128	10	121.0299	0.128	10	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	119.6110	0.303	3	119.5555	0.074	4	120.0408	0.241	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>}	119.3890	0.000	1	119.5555	0.074	4	120.0408	0.241	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|O<2>}	120.3181	0.344	7	120.3181	0.118	7	120.0408	0.241	11	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3320	0.000	1	122.3320	0.000	1	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	121.9780	0.000	1	122.1493	0.980	26	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3635	0.407	16	122.1493	0.980	26	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1143	0.208	3	122.1493	0.980	26	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1540	0.000	1	122.1493	0.980	26	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.5182	2.189	5	122.1493	0.980	26	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.2689	0.393	7	122.0258	0.297	35	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	121.7582	0.382	21	122.0258	0.297	35	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1170	0.000	1	122.0258	0.297	35	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.6635	0.617	6	122.0258	0.297	35	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.4230	0.363	6	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	121.8923	0.328	3	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.4705	0.674	10	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3804	0.811	21	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	121.8402	0.466	31	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.8817	0.298	3	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	120.4160	0.194	4	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1210	0.546	187	122.0600	0.379	265	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1505	0.829	4	122.1426	0.280	12	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.0922	0.491	5	122.1426	0.280	12	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.2160	0.128	3	122.1426	0.280	12	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.9520	0.000	1	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.2937	0.265	3	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	122.2345	0.317	2	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	121.7000	0.500	18	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|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[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	122.1000	0.000	1	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1220	0.003	2	121.8610	0.230	27	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	121.6594	0.345	5	121.4883	0.271	6	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	120.6330	0.000	1	121.4883	0.271	6	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	122.3880	0.000	1	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3125	0.304	4	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	122.7518	0.087	4	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	122.3590	0.522	2	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	123.1860	0.000	1	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.5921	1.062	27	122.5779	0.810	39	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.5225	0.544	2	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	121.8878	0.230	5	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.5015	0.217	2	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	121.7344	0.335	5	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	121.9300	0.000	1	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3326	0.338	9	121.9617	0.185	24	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	122.1668	0.211	4	122.0988	0.056	5	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.8270	0.000	1	122.0988	0.056	5	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>}	123.4010	0.000	1	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	120.7940	0.000	1	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	122.4462	0.607	28	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	123.1555	1.313	2	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.7209	0.478	8	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	122.4730	0.182	2	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	123.0072	0.262	6	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.4085	0.189	2	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.8357	0.075	3	122.5298	0.415	53	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	121.7274	0.212	5	121.7274	0.045	5	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]N[6a])(H){1|C<3>}	121.0080	0.000	1	121.0080	0.000	1	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>}	121.9770	0.000	1	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	122.2140	0.430	6	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){2|C<3>}	122.1880	0.612	237	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.9383	0.517	27	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.2362	0.596	31	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<2>}	121.9063	0.448	9	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|P<4>}	121.3880	0.000	1	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<2>}	121.7733	0.483	8	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<3>}	122.2390	0.274	2	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|S<4>}	122.9013	0.383	3	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>}	121.9830	0.913	4	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.7943	0.714	190	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Pd<4>,1|C<3>}	122.2795	0.134	2	121.9650	0.476	521	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3725	0.542	2	122.3725	0.294	2	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.8710	0.000	1	122.8710	0.000	1	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.7090	0.000	1	121.7090	0.000	1	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|Pd<4>,1|C<3>}	N[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.8560	0.404	2	121.8560	0.164	2	122.0454	0.471	1026	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O){2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br){1|C<3>,1|C<4>}	114.5970	0.267	3	114.5970	0.071	3	114.5970	0.071	3	122.0230	0.737	1076	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	123.5030	0.000	1	123.5030	0.000	1	123.5030	0.000	1	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	122.0340	0.256	5	122.0340	0.066	5	122.0340	0.066	5	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>}	124.4460	0.000	1	124.4460	0.000	1	124.4460	0.000	1	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	121.1385	1.138	2	121.1385	1.294	2	121.8966	0.916	24	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	122.1697	0.141	3	122.0662	0.947	19	121.8966	0.916	24	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	122.0468	1.064	16	122.0662	0.947	19	121.8966	0.916	24	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	121.3277	0.155	3	121.3277	0.024	3	121.8966	0.916	24	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	121.8060	0.000	1	121.8060	0.000	1	122.0866	0.551	5	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	122.1568	0.838	4	122.1568	0.702	4	122.0866	0.551	5	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	122.3250	0.000	1	121.4566	0.170	11	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	121.3698	0.311	10	121.4566	0.170	11	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	121.0377	0.367	3	120.7156	0.263	5	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	120.2325	0.064	2	120.7156	0.263	5	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	120.7159	0.226	7	120.3779	0.226	78	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	121.1082	0.284	4	120.3779	0.226	78	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	120.2990	0.453	67	120.3779	0.226	78	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	120.5035	0.530	2	120.5035	0.281	2	120.5217	0.336	96	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|H<1>}	121.8025	0.664	2	121.8025	0.441	2	122.1330	0.487	8	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	121.3380	0.000	1	121.3380	0.000	1	122.1330	0.487	8	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>}	122.4242	0.651	5	122.4242	0.424	5	122.1330	0.487	8	121.0288	1.055	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	123.6614	0.266	5	123.6614	0.071	5	123.6614	0.071	5	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]N[6a])(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[6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	123.1802	0.650	5	123.1802	0.423	5	123.1802	0.423	5	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	122.7050	0.172	3	122.7050	0.030	3	123.1677	0.876	4	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	124.5560	0.000	1	124.5560	0.000	1	123.1677	0.876	4	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	123.5823	0.329	3	123.5823	0.108	3	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	122.6950	0.000	1	122.6950	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	122.7830	0.000	1	121.8983	0.240	6	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	121.7214	0.256	5	121.8983	0.240	6	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	122.4470	0.000	1	121.9072	0.658	10	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	121.9640	0.812	8	121.9072	0.658	10	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){2|C<3>}	120.9130	0.000	1	121.9072	0.658	10	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	121.9330	0.000	1	121.9330	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	126.2890	0.000	1	126.2890	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	122.7710	0.000	1	122.7710	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	122.6060	0.000	1	122.6060	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|O<2>}	122.6680	0.660	2	122.6680	0.436	2	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	123.5123	0.178	3	123.5123	0.032	3	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	122.8979	0.534	18	122.8979	0.286	18	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	122.0600	0.113	2	122.0600	0.013	2	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS){1|C<3>,1|H<1>}	123.9470	0.000	1	123.9470	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	122.3550	0.502	8	122.3550	0.252	8	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	122.1279	0.589	133	122.1215	0.350	134	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	121.2710	0.000	1	122.1215	0.350	134	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	122.9330	0.478	2	122.9330	0.228	2	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	121.9210	0.000	1	121.9210	0.000	1	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	122.4401	1.002	20	122.4401	1.004	20	122.2945	0.579	215	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2)	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H){2|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2){1|In<5>,1|C<3>,1|H<1>}	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5770	0.680	2	121.5840	0.435	8	121.5840	0.435	8	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	120.7445	0.179	2	121.5840	0.435	8	121.5840	0.435	8	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	122.3980	0.000	1	121.5840	0.435	8	121.5840	0.435	8	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<2>}	122.2590	0.000	1	121.5840	0.435	8	121.5840	0.435	8	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,3|C<3>}	121.6860	0.000	2	121.5840	0.435	8	121.5840	0.435	8	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	121.8485	0.018	2	121.8485	0.000	2	121.8485	0.000	2	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	121.7735	0.422	2	121.7735	0.178	2	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	122.1660	0.000	1	122.1660	0.000	1	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	120.8395	0.548	2	120.8395	0.300	2	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	119.6500	0.000	1	119.6500	0.000	1	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	121.3632	0.563	5	121.3632	0.317	5	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	121.2154	0.770	14	121.2154	0.592	14	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	122.2506	0.485	8	122.2506	0.235	8	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	121.9130	0.165	5	121.9130	0.027	5	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	121.8925	0.759	2	121.8925	0.576	2	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	121.4176	0.453	7	121.4176	0.206	7	121.5351	0.539	47	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	122.5330	0.000	1	122.5330	0.000	1	122.5330	0.000	1	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,1|H<1>}	120.9840	0.156	2	120.9840	0.024	2	120.9840	0.024	2	122.1977	0.717	292	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){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[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	123.8395	0.046	2	123.8395	0.002	2	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	122.9650	0.000	1	122.9650	0.000	1	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	122.1165	0.286	2	122.1165	0.082	2	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	123.0931	0.597	17	122.9474	0.296	30	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	123.5230	0.000	1	122.9474	0.296	30	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){2|C<3>}	122.7013	0.388	9	122.9474	0.296	30	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	122.6683	0.326	3	122.9474	0.296	30	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|O<2>}	122.9960	0.330	2	122.9960	0.109	2	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	123.5250	0.000	1	123.5250	0.000	1	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	122.6030	0.000	1	122.2811	0.055	7	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	122.2275	0.206	6	122.2811	0.055	7	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	122.4525	1.721	15	122.4525	2.963	15	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>}	123.1670	0.238	3	123.1670	0.057	3	122.7789	0.954	63	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3){1|C<3>,1|H<1>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO){1|C<3>,1|H<1>}	119.8730	0.000	1	119.8730	0.000	1	120.3097	0.163	3	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-4:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<4>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>}	120.5280	0.202	2	120.5280	0.041	2	120.3097	0.163	3	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O){2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>}	117.2810	0.000	1	117.2810	0.000	1	117.2810	0.000	1	122.5598	1.623	68	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H){1|S<4>,3|C<3>}	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	124.4150	0.000	1	123.8116	0.260	5	123.8116	0.260	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|I<1>,3|C<3>}	123.4130	0.474	2	123.8116	0.260	5	123.8116	0.260	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	123.9085	0.339	2	123.8116	0.260	5	123.8116	0.260	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(Cl){1|I<1>,3|C<3>}	122.9255	0.134	2	122.9255	0.018	2	122.9255	0.018	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	127.4200	0.000	1	127.4200	0.000	1	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.1280	0.598	2	125.3683	0.352	3	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.8490	0.000	1	125.3683	0.352	3	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	124.7510	0.000	1	125.5924	0.480	5	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.5950	0.508	3	125.5924	0.480	5	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.4260	0.000	1	125.5924	0.480	5	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|O<2>}	124.5665	0.435	2	124.5665	0.189	2	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.7052	0.683	10	125.7636	0.378	21	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.8166	0.574	11	125.7636	0.378	21	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	124.7760	0.000	1	124.7760	0.000	1	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>}	124.8423	0.147	3	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>}	125.2570	0.000	1	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	125.1720	0.018	2	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	125.9975	0.490	4	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	123.3740	0.000	1	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	124.5585	0.254	2	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	125.1703	0.580	4	125.1347	0.554	17	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.0982	0.926	5	126.0982	0.858	5	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.9600	0.000	1	125.9600	0.000	1	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	125.1585	0.173	2	125.1585	0.030	2	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(H){1|H<1>,3|C<3>}	125.3485	0.067	2	125.3485	0.005	2	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	125.0820	0.141	2	125.0412	0.062	4	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	125.0005	0.398	2	125.0412	0.062	4	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|N<4>}	126.3210	0.000	1	125.6200	0.983	2	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	124.9190	0.000	1	125.6200	0.983	2	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.9200	0.000	1	125.9200	0.000	1	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.4820	0.000	1	125.8417	0.772	3	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.2000	0.000	1	125.8417	0.772	3	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.8430	0.000	1	125.8417	0.772	3	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.8020	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.4144	0.319	8	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.3020	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|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[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){2|C<3>}	124.8380	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	122.2680	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|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[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>}	126.5610	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.3760	0.000	1	125.3187	1.017	14	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.9470	0.000	1	125.1947	0.542	4	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.3250	0.000	2	125.1947	0.542	4	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	124.1820	0.000	1	125.1947	0.542	4	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.2210	0.000	1	125.2210	0.000	1	125.4663	0.620	89	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	123.8205	0.322	2	123.8525	0.044	6	123.8525	0.044	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|I<1>,3|C<3>}	123.8915	0.334	2	123.8525	0.044	6	123.8525	0.044	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Cl<1>,3|C<3>}	123.8455	0.023	2	123.8525	0.044	6	123.8525	0.044	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C){1|Cl<2>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]Cl){1|Cl<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]Cl)(Cl){1|C<3>,1|O<2>}	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[5,6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|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[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	126.3290	0.000	1	126.3290	0.000	1	126.8325	0.228	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H){1|C<4>,1|N<2>,2|C<3>}	127.0003	0.417	3	127.0003	0.174	3	126.8325	0.228	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	124.5647	0.256	6	124.5647	0.066	6	124.5647	0.066	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H){1|S<2>,3|C<3>}	124.6130	0.000	1	124.6130	0.000	1	125.0295	0.347	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(H){1|H<1>,3|C<3>}	125.4460	0.000	1	125.4460	0.000	1	125.0295	0.347	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|H<1>,3|C<3>}	123.4110	0.000	1	123.4767	0.060	3	123.6150	0.477	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(Br){1|Br<1>,3|C<3>}	123.5095	0.337	2	123.4767	0.060	3	123.6150	0.477	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	124.7290	0.000	1	124.7290	0.000	1	123.6150	0.477	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Br){2|C<3>}	122.9160	0.000	1	122.9160	0.000	1	123.6150	0.477	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){2|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	124.4160	0.000	1	124.4160	0.000	1	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|B<3>,1|C<3>}	124.3050	0.000	2	123.7990	0.768	3	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	122.7870	0.000	1	123.7990	0.768	3	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(Cl){1|C<3>,1|H<1>}	124.7490	0.000	1	124.7490	0.000	1	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>}	123.1665	0.494	2	123.1665	0.244	2	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	124.1145	1.370	2	124.1145	1.876	2	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(Cl){1|Cl<1>,1|C<3>}	123.1799	0.714	10	123.1799	0.509	10	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]Cl)(Cl){1|Cl<1>,3|C<3>}	123.6810	0.040	2	123.6810	0.002	2	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>}	122.5770	0.000	1	122.5770	0.000	1	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	124.2618	2.073	4	124.2618	4.296	4	123.6119	1.149	26	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|F<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(F){2|C<3>}	122.5660	0.000	1	122.5660	0.000	1	122.5660	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>}	125.0950	0.078	2	125.0950	0.006	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.6760	0.037	2	125.6760	0.001	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.0150	0.000	1	126.0150	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	123.6720	0.000	1	123.6720	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.0880	0.000	1	125.0851	0.277	12	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.7855	0.556	2	125.0851	0.277	12	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.2272	0.345	4	125.0851	0.277	12	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>}	124.6906	0.369	5	125.0851	0.277	12	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)(H){2|C<3>}	125.6755	0.367	2	125.6755	0.135	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|Br<1>,1|N<2>,2|C<3>}	125.6060	0.000	1	125.2061	0.120	15	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|Br<1>,3|C<3>}	125.1963	0.348	11	125.2061	0.120	15	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|I<1>,3|C<3>}	125.2975	0.261	2	125.2061	0.120	15	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(H){1|H<1>,3|C<3>}	124.7320	0.000	1	125.2061	0.120	15	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|B<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]B)(H){1|C<3>,1|C<4>}	124.6760	0.000	1	124.6760	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	126.1910	0.000	1	126.1910	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>}	125.0700	0.000	1	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	125.1780	0.130	2	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>}	125.1937	0.443	63	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	125.9910	0.000	1	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|S<4>}	125.0805	0.503	2	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.0470	0.000	1	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){2|C<3>}	125.2759	0.369	16	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>}	124.3940	0.000	1	125.2027	0.185	87	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>}	126.8940	0.000	1	126.8940	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|N<3>}	125.1565	0.425	2	125.1565	0.181	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	126.7185	0.278	2	126.2695	0.303	4	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.8205	0.155	2	126.2695	0.303	4	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.8920	0.000	1	125.8920	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Pd<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.6020	0.000	1	126.6020	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	124.5857	0.274	4	124.5857	0.075	4	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>}	124.4120	0.000	1	124.4120	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	126.1530	0.000	1	126.1530	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]Pd)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|Pd<4>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]Pd)(H){1|C<3>}	126.0775	0.146	2	126.0775	0.021	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H){1|Fe<10>,1|C<3>,2|C<4>}	124.6220	0.000	1	124.6220	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	125.0580	0.562	5	125.0580	0.316	5	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	125.1025	0.318	8	125.1025	0.101	8	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	126.7210	0.332	9	126.7210	0.110	9	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	124.6944	1.785	5	125.6526	3.583	8	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	127.2497	0.216	3	125.6526	3.583	8	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	125.3772	0.479	6	125.2959	0.193	8	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	125.0520	0.222	2	125.2959	0.193	8	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	126.9257	0.285	6	126.9257	0.081	6	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	125.3570	0.624	3	125.4993	0.340	4	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	125.9260	0.000	1	125.4993	0.340	4	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	124.9090	0.000	1	124.9090	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	124.9644	0.213	12	124.9644	0.046	12	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	126.8770	0.000	1	126.8770	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	124.6010	0.242	2	124.6010	0.058	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>}	125.0340	0.000	1	124.8630	0.024	3	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>}	124.7775	0.066	2	124.8630	0.024	3	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|I<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>}	125.1125	0.098	2	125.1125	0.010	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.3340	0.000	1	125.3340	0.000	1	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)2(H){1|C<3>}	124.9605	0.371	2	124.9605	0.138	2	125.3459	0.540	214	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I){1|I<1>,1|N<2>,2|C<3>}	123.8110	0.000	1	123.8110	0.000	1	124.0949	0.260	7	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	124.1422	0.542	6	124.1422	0.294	6	124.0949	0.260	7	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Cl){1|Pd<4>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	125.4440	0.000	1	125.4440	0.000	1	125.4440	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]S)(H){1|N<3>,1|O<1>}	126.4730	0.000	1	126.4730	0.000	1	125.7020	1.189	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|N<3>,1|O<1>}	124.9310	0.000	1	124.9310	0.000	1	125.7020	1.189	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(O){1|N<3>,1|O<2>}	126.9740	0.000	1	126.9740	0.000	1	126.9740	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[5a,6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[5a,6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]F)(C[6a]C[6a]F){1|F<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]F)(F){3|C<3>}	124.6440	0.000	1	124.6440	0.000	1	124.6440	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	126.4920	0.000	1	126.4920	0.000	1	126.3055	0.141	8	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|C<3>,1|F<1>}	126.7630	0.000	1	126.2789	0.158	7	126.3055	0.141	8	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	126.1982	0.367	6	126.2789	0.158	7	126.3055	0.141	8	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	125.3685	0.217	2	125.3685	0.047	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	125.2845	0.366	2	125.2845	0.134	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	126.1710	0.000	1	126.1710	0.000	1	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|F<1>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]F)(F){1|F<1>,3|C<3>}	124.2699	0.446	23	124.2699	0.199	23	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Al)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Al<8>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Al)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.7280	0.102	2	123.7280	0.010	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.0015	0.493	4	124.0015	0.243	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|Co<7>,1|C<3>,1|F<1>,2|C<4>}	125.2005	0.781	6	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|F<1>,4|C<3>}	124.4885	0.357	4	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|Fe<8>,1|C<3>,1|F<1>,2|C<4>}	124.8067	0.055	4	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|Ge<2>,1|C<3>,1|F<1>,2|N<3>}	124.4590	1.271	2	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|F<1>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|C<3>,1|F<1>,2|N<2>}	124.5125	0.345	6	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|F<1>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]F)(F){1|C<4>,1|F<1>,2|C<3>}	124.8900	0.764	4	124.7668	0.379	26	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Co)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Co)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.2930	0.242	2	124.2895	0.071	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Co)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Co<5>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Co)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.2860	0.392	2	124.2895	0.071	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.1632	0.217	6	124.1930	0.039	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)2{1|Ni<4>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F){1|Ni<4>,1|C<3>}	124.2825	0.120	2	124.1930	0.039	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ge)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ge<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ge)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.2618	0.091	4	124.2618	0.008	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.6650	0.000	1	123.6650	0.000	1	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.8636	0.363	8	124.7311	0.162	20	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<5>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.3758	0.434	6	124.7311	0.162	20	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.8912	0.113	4	124.7311	0.162	20	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ir<7>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.9465	0.275	2	124.7311	0.162	20	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Mg)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Mg<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Mg)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.4300	0.402	2	123.4300	0.161	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	126.1725	1.583	2	125.3148	0.863	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|H<1>}	124.7230	0.000	2	125.3148	0.863	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.7950	0.174	2	125.3148	0.863	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|Cl<1>,1|C<3>}	124.9920	0.000	1	125.3148	0.863	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|Rh<8>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|Rh<8>,1|C<3>}	126.1450	0.000	1	125.3148	0.863	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F){1|F<1>,3|C<3>}	124.1883	0.189	6	124.1883	0.036	6	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]F)(F){1|B<3>,1|F<1>,2|C<3>}	124.4140	0.280	8	124.4140	0.079	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ni)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ni<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ni)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.5310	0.846	2	124.5310	0.715	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|O<2>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.6540	0.399	22	124.6540	0.159	22	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	N[6a](C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(F){1|C<3>,1|C<4>}	123.8190	0.000	1	124.2012	0.092	5	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.2968	0.249	4	124.2012	0.092	5	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Pd)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Pd<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.6340	0.704	8	124.6340	0.495	8	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.3267	0.222	6	124.4850	0.173	14	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<5>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.5892	0.579	6	124.4850	0.173	14	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<8>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.6475	0.237	2	124.4850	0.173	14	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ru<5>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.3775	0.131	2	124.3775	0.017	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	125.2320	0.341	2	124.4103	0.470	6	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|S<2>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.9995	0.263	4	124.4103	0.470	6	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Se<2>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.1341	0.254	12	124.1341	0.064	12	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.9345	0.255	2	123.9345	0.065	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Si[4])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Si<5>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Si[4])(C[6a]N[6a]F)(F){1|C<3>,2|F<1>,3|N<3>}	124.0845	0.124	2	124.0845	0.015	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Sn<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.9665	0.448	4	123.9665	0.200	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Te)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Te<2>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Te)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.3305	0.347	4	124.3305	0.120	4	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]Ni)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Ni<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]Ni)(C[6a]C[6a]F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	125.1880	0.774	2	125.1880	0.598	2	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(F){1|Rh<6>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	124.4470	0.000	1	124.4470	0.000	1	124.4934	0.330	207	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|H<1>}	127.1480	0.000	1	127.2210	0.011	2	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|H<1>}	127.2940	0.000	1	127.2210	0.011	2	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|N<3>}	128.0360	0.000	1	127.1180	0.338	7	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){2|C<3>}	127.0048	0.499	5	127.1180	0.338	7	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|Si<4>,1|C<3>}	126.7660	0.000	1	127.1180	0.338	7	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|H<1>}	127.0760	0.004	2	127.0760	0.000	2	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H){2|C<3>}	128.3680	0.000	1	128.3680	0.000	1	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|H<1>}	126.0685	0.159	2	126.0685	0.025	2	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){2|C<3>}	126.0390	0.000	1	126.0390	0.000	1	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<6>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H){2|C<3>}	126.9801	0.908	21	127.0003	0.757	23	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Ir<7>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]F)(H){2|C<3>}	127.2125	0.276	2	127.0003	0.757	23	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)2{1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(H){1|C<3>,1|F<1>}	127.6500	0.000	2	127.6500	0.000	2	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Pt)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|Pt<4>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]N[6a]F)(H){2|C<3>}	127.9410	0.000	1	127.9410	0.000	1	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(F){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(H){1|C<3>,1|H<1>}	127.0007	0.182	4	127.0007	0.033	4	127.0492	0.572	45	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(F){1|N<3>,1|O<1>}	125.3050	0.000	1	125.3050	0.000	1	126.1265	0.417	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|N<3>,1|O<1>}	126.6385	0.097	2	126.6385	0.009	2	126.1265	0.417	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)(N[6a]N[6a])(F){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]F)(F){1|N<3>,1|O<1>,2|C<4>}	125.9240	0.000	1	125.9240	0.000	1	126.1265	0.417	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5,6a])(H){3|C<3>}	N[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]N[6a]H)(H){1|O<2>,3|C<3>}	126.4950	0.000	1	126.4950	0.000	1	126.4950	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	123.0970	0.000	1	123.0970	0.000	1	123.4950	0.317	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[5,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.8930	0.000	1	123.8930	0.000	1	123.4950	0.317	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[5a,6,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6,6a])(H){3|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[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	125.2620	0.000	1	125.2620	0.000	1	125.2620	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.8720	0.000	1	124.2490	0.776	2	124.3740	0.435	3	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.6260	0.000	1	124.2490	0.776	2	124.3740	0.435	3	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){3|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[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.6240	0.000	1	124.6240	0.000	1	124.3740	0.435	3	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	123.8350	0.000	2	123.8350	0.000	2	123.8350	0.000	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	122.0020	0.000	1	122.0020	0.000	1	122.3825	0.290	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6,6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	122.7630	0.000	1	122.7630	0.000	1	122.3825	0.290	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|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[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	128.1410	0.000	1	128.1410	0.000	1	128.1410	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.9550	0.000	1	124.9550	0.000	1	124.9390	0.387	10	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]N[6a]H)(H){3|C<3>}	125.9155	0.158	2	125.9155	0.025	2	124.9390	0.387	10	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H){4|C<3>}	124.8740	0.000	1	124.8740	0.000	1	124.9390	0.387	10	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.7618	0.226	4	124.7618	0.051	4	124.9390	0.387	10	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)(H){4|C<3>}	124.3415	0.743	2	124.3415	0.552	2	124.9390	0.387	10	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){3|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.6055	0.098	2	124.6055	0.010	2	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|F<1>}	N[6a](C[6a]C[5,6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	122.8950	0.000	1	122.8950	0.000	1	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<3>,3|C<3>}	124.5960	0.201	2	124.6156	0.092	10	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<4>,3|C<3>}	124.3295	0.333	2	124.6156	0.092	10	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<3>,3|C<3>}	124.7150	0.441	2	124.6156	0.092	10	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<4>,3|C<3>}	124.7915	0.479	2	124.6156	0.092	10	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|Si<4>,3|C<3>}	124.6460	0.048	2	124.6156	0.092	10	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	124.7450	0.000	1	124.3487	0.119	3	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	124.1505	0.057	2	124.3487	0.119	3	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	125.1720	0.000	1	125.1720	0.000	1	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	125.4850	0.000	1	125.4850	0.000	1	124.5536	0.309	18	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|N<2>,2|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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	124.1590	0.000	1	124.1590	0.000	1	123.9400	0.096	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[5a,6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	123.7210	0.000	1	123.7210	0.000	1	123.9400	0.096	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Br<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	123.9550	0.000	1	123.9550	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	123.5230	1.626	3	124.2277	1.039	9	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.5800	0.398	6	124.2277	1.039	9	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.8250	0.000	1	124.8250	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.4365	0.284	2	124.4365	0.080	2	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){3|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.4300	0.082	2	124.4300	0.007	2	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	124.9600	0.000	1	125.1445	0.068	2	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	125.3290	0.000	1	125.1445	0.068	2	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.1867	0.320	3	124.1867	0.102	3	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.8370	0.000	1	124.8370	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H){4|C<3>}	125.1270	0.059	2	125.1270	0.004	2	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H){4|C<3>}	125.2250	0.000	1	125.2250	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	124.9080	0.016	2	125.2865	0.110	6	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	125.4758	0.198	4	125.2865	0.110	6	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	126.0790	0.000	1	126.0790	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|N<4>}	124.5040	0.000	1	124.5040	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	125.5210	0.000	1	125.5210	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	124.6930	0.000	1	124.6930	0.000	1	124.7130	0.564	34	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]N[6a]H)(H){1|C<4>,4|C<3>}	124.3790	0.000	1	124.3790	0.000	1	124.3790	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.5430	0.000	1	123.5430	0.000	1	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	124.0650	0.552	2	124.0650	0.304	2	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)(H){1|S<2>,3|C<3>}	123.5540	0.000	1	123.5540	0.000	1	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.0800	0.000	1	124.1192	0.171	6	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.4690	0.000	1	124.1192	0.171	6	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	124.5700	0.000	1	124.1192	0.171	6	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|O<1>,3|C<3>}	124.1987	0.324	3	124.1192	0.171	6	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H){4|C<3>}	124.6090	0.168	2	124.6090	0.028	2	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	124.8710	0.000	1	125.4385	0.644	2	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	126.0060	0.000	1	125.4385	0.644	2	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]H)(H){1|N<3>,2|C<3>}	123.4550	0.000	1	123.4550	0.000	1	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){2|C<3>,3|C<4>}	124.0160	0.901	4	124.0160	0.811	4	124.1872	0.516	19	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a,6a]Br)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(Br){1|N<3>,3|C<3>}	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a,6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(F){1|S<4>,3|C<3>}	122.9100	0.607	4	122.9100	0.369	4	122.9100	0.369	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[3x4,3x6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.0220	0.000	1	124.0220	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.8176	0.373	20	123.5958	0.411	30	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.0157	0.889	8	123.5958	0.411	30	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|O<2>,3|C<3>}	123.8500	0.000	1	123.5958	0.411	30	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	123.5460	0.000	1	123.5958	0.411	30	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.6586	0.987	5	123.8596	0.535	21	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.9224	0.660	16	123.8596	0.535	21	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.4950	0.000	1	124.4950	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	124.6800	0.000	1	124.5775	0.021	2	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	124.4750	0.000	1	124.5775	0.021	2	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(H){4|C<3>}	123.9480	0.000	1	123.9480	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	124.1190	0.000	1	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	123.8443	0.550	4	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.7920	0.964	2	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.2266	1.595	9	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.0310	0.081	2	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|O<2>,3|C<3>}	123.9227	0.259	3	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|Se<2>,3|C<3>}	125.4485	0.685	2	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){4|C<3>}	124.0970	0.000	1	124.1643	1.175	24	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	124.2070	0.000	1	124.2070	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	123.9840	0.000	1	123.9840	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|P<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.8555	0.056	2	123.8555	0.003	2	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|S<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.2060	0.000	1	123.2060	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H)	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.5330	0.000	1	123.5330	0.000	1	123.8736	0.660	86	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.6310	0.000	1	122.6310	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	121.9460	0.000	1	121.9460	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	122.9040	0.000	1	122.9040	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	122.0815	0.404	2	122.2023	0.259	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	122.3230	0.745	2	122.2023	0.259	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	121.8850	0.000	1	121.8850	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.3810	0.000	1	122.5628	0.124	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.6233	0.404	3	122.5628	0.124	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.6790	0.000	1	123.1230	0.394	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	123.5670	0.000	1	123.1230	0.394	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	121.5910	0.609	3	122.0228	0.546	5	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	122.5260	0.000	1	122.0228	0.546	5	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.8150	0.000	1	122.0228	0.546	5	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	122.3270	0.161	2	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,1|N<2>,2|C<3>}	123.7750	0.000	1	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	122.3730	0.465	11	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	122.4215	0.382	6	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Si<4>,3|C<3>}	121.6915	0.289	2	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Sn<4>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Sn<4>,3|C<3>}	122.4640	0.010	2	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	122.1725	0.209	2	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	122.1600	0.365	2	122.3585	0.232	28	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	122.1745	0.388	2	122.1745	0.151	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|I<1>,3|C<3>}	122.1385	0.138	2	122.1705	0.008	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	122.2025	0.012	2	122.1705	0.008	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	120.6020	0.000	1	120.6020	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	123.5080	0.000	1	123.5080	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.0840	0.083	5	122.3621	0.549	25	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.6016	0.727	13	122.3621	0.549	25	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	122.8225	1.522	2	122.3621	0.549	25	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	121.6680	0.000	1	122.3621	0.549	25	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	121.8748	0.711	4	122.3621	0.549	25	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	121.7710	0.196	3	121.7710	0.039	3	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br){1|C<3>}	122.4230	0.000	1	122.4230	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){1|N<3>,2|C<3>}	121.9030	0.000	1	122.2387	0.383	3	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){3|C<3>}	122.4065	0.773	2	122.2387	0.383	3	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	121.8930	0.000	1	121.8930	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	121.3485	0.261	2	121.3485	0.068	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	120.9975	0.446	2	120.9975	0.199	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	121.2839	1.732	8	121.2839	2.999	8	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>,1|H<1>}	122.9470	0.000	1	122.9470	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|C<2>,3|C<3>}	122.6680	0.178	2	122.6238	0.266	13	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|H<1>,3|C<3>}	123.0090	0.000	1	122.6238	0.266	13	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){4|C<3>}	122.6527	0.619	8	122.6238	0.266	13	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Br){1|Br<1>,3|C<3>}	122.2715	0.265	2	122.6238	0.266	13	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	120.7550	1.888	3	121.8520	1.149	21	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|O<2>}	120.5950	0.000	2	121.8520	1.149	21	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){2|C<3>}	122.6449	0.254	9	121.8520	1.149	21	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|Br<1>,1|C<3>}	121.6619	0.665	7	121.8520	1.149	21	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	123.0850	0.301	3	123.0850	0.091	3	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.5050	0.000	1	122.5050	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|N<3>}	121.9930	0.000	1	122.4455	0.410	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|C<3>,1|H<1>}	122.8980	0.000	1	122.4455	0.410	2	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	121.3143	0.474	8	121.3143	0.225	8	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	121.8545	0.403	6	121.8545	0.162	6	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|Cl<1>,2|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	123.4230	0.000	1	123.4230	0.000	1	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	122.1455	0.142	2	121.7618	0.380	6	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)2(Br){1|C<3>}	121.5700	0.692	4	121.7618	0.380	6	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br){1|C<3>}	123.7250	0.398	4	123.7250	0.158	4	122.1775	0.754	166	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.7820	0.000	1	122.3734	0.314	10	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	122.3280	0.574	9	122.3734	0.314	10	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	121.7390	0.506	2	121.7390	0.256	2	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	121.6994	1.294	5	121.8191	1.318	7	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	122.8100	0.000	1	121.8191	1.318	7	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	121.4270	0.000	1	121.8191	1.318	7	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	121.8020	0.000	1	121.9615	0.051	2	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	122.1210	0.000	1	121.9615	0.051	2	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|I<1>,3|C<3>}	122.2790	0.025	2	122.2790	0.001	2	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	123.5720	0.000	1	124.0903	0.238	3	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<2>,1|C<3>}	124.3495	0.269	2	124.0903	0.238	3	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.4927	0.482	3	122.2692	0.538	26	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.3641	0.625	20	122.2692	0.538	26	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|N<3>}	121.7740	0.000	1	122.2692	0.538	26	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	122.4220	0.000	1	122.2692	0.538	26	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	120.0430	0.000	1	122.2692	0.538	26	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|F<1>}	122.6625	0.260	2	122.5495	0.051	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){2|C<3>}	122.5700	0.000	1	122.5495	0.051	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	122.3030	0.000	1	122.5495	0.051	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]H)2(Cl){1|C<3>}	122.0367	0.227	3	122.0367	0.052	3	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	122.3100	0.199	4	122.3100	0.040	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.5190	0.496	3	122.6071	0.468	9	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(Cl){1|Cl<1>,1|C<3>}	122.6512	0.802	6	122.6071	0.468	9	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|H<1>,3|C<3>}	122.4590	0.000	1	122.7077	0.227	3	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	122.8320	0.601	2	122.7077	0.227	3	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	121.6870	0.000	1	121.6870	0.000	1	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.8147	0.538	3	122.6455	0.308	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>}	122.1380	0.000	1	122.6455	0.308	4	122.3638	0.569	80	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(F){1|C<3>,1|H<1>}	121.6560	0.000	1	121.6560	0.000	1	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(F){1|C<3>}	123.4560	0.000	1	123.4560	0.000	1	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F){3|C<3>}	122.1710	0.237	3	122.1710	0.056	3	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(F){1|C<3>,1|H<1>}	123.4780	0.000	1	123.4780	0.000	1	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]H)2(F){1|C<3>}	121.1045	0.480	2	121.1045	0.231	2	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(F){1|C<3>,1|F<1>}	122.3660	0.107	2	122.3660	0.012	2	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(F){2|C<3>}	121.5160	0.000	1	121.5160	0.000	1	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(F){1|C<3>,1|H<1>}	121.9190	0.051	2	121.9190	0.003	2	122.1075	0.570	13	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.2880	0.000	1	123.2880	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<6>,1|C<3>,1|C<4>}	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.6810	0.000	1	124.6810	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0710	0.000	1	124.0710	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.9390	0.000	1	122.9390	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4930	0.926	2	124.4930	0.858	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0220	0.000	1	124.0220	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0043	0.470	3	123.8920	0.127	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8552	0.352	4	123.8920	0.127	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7020	0.000	1	123.8920	0.127	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7855	0.699	2	123.9262	0.170	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2980	0.000	1	123.9262	0.170	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7550	0.000	1	123.9262	0.170	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6930	0.000	1	123.9262	0.170	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2400	0.000	1	123.9262	0.170	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6475	1.992	100	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7600	0.374	3	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8565	0.591	12	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1999	0.741	9	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|F<1>}	123.4840	0.000	1	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.7560	0.297	2	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8574	1.045	75	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1183	0.524	52	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0894	0.689	27	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7604	0.532	7	123.8587	1.815	288	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	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[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.0850	0.688	4	123.0850	0.473	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<6>,1|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1842	0.463	6	123.1842	0.215	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5423	0.087	3	123.6288	0.019	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7060	0.000	1	123.6288	0.019	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8110	0.000	1	123.6288	0.019	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<5>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,4|B<6>}	124.4300	0.000	1	124.4300	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.5630	0.000	1	124.3766	0.591	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	124.0303	0.236	3	124.3766	0.591	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.3841	0.807	10	124.3766	0.591	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	125.2650	0.547	2	124.3766	0.591	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|O<2>}	123.1205	0.788	4	123.1205	0.621	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7770	0.000	1	123.7770	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3094	0.375	7	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.3520	0.124	2	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1661	0.344	35	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1687	0.315	3	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9854	0.510	13	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.5640	0.000	1	124.1240	0.169	61	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.9135	0.364	2	124.2917	0.495	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	125.0480	0.000	1	124.2917	0.495	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6370	0.304	2	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7241	0.802	38	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.4774	0.295	5	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.8972	0.868	16	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.1085	0.035	2	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.6799	0.528	12	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	124.4960	0.000	1	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.7390	0.191	5	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	121.8633	1.806	3	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6641	1.207	709	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3325	0.305	2	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1975	0.863	2	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6996	0.844	104	123.6508	1.303	901	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.3800	0.864	6	125.2106	0.823	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1940	0.000	1	125.2106	0.823	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.2198	0.277	4	125.2198	0.077	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.7810	0.000	1	124.7810	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9040	0.000	1	123.9040	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|As<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0853	0.399	3	124.0853	0.160	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7601	0.635	10	123.7601	0.404	10	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|Br<1>,3|C<3>}	123.5670	0.000	1	123.5670	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){2|C<3>}	123.6050	0.000	1	123.6050	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	121.6190	0.000	1	121.9472	7.547	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	122.1925	0.431	2	121.9472	7.547	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	119.8490	4.335	5	121.9472	7.547	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.8350	0.406	2	121.9472	7.547	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.3727	0.579	6	121.9472	7.547	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.4570	0.000	1	124.4963	0.073	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.5028	0.295	6	124.4963	0.073	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1573	0.333	3	123.6893	1.028	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9950	0.000	1	123.6893	1.028	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.7497	1.563	6	123.6893	1.028	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1254	0.445	7	123.6893	1.028	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8642	0.326	5	123.6893	1.028	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.0000	0.000	1	124.0000	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2650	0.000	1	123.8686	0.172	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7070	0.000	1	123.8686	0.172	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7903	0.493	3	123.8686	0.172	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>}	123.4460	0.000	1	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	124.4005	0.479	2	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.1620	0.000	1	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1623	0.829	32	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	122.8132	0.706	12	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.6593	0.403	3	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.1557	0.854	3	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	124.1320	0.000	1	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6545	1.146	851	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.0518	1.114	6	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5500	0.000	1	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>}	123.0135	1.092	2	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	123.3660	0.000	1	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.4550	0.524	7	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|F<1>}	123.7030	0.129	2	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.5110	0.413	2	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	122.8786	0.465	13	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7135	0.831	696	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	122.8974	0.939	10	123.6712	1.024	1646	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.0070	0.000	1	123.5850	0.668	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1630	0.000	1	123.5850	0.668	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.0203	0.291	3	124.4287	0.301	15	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.6045	1.146	2	124.4287	0.301	15	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	124.6645	0.265	2	124.4287	0.301	15	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4790	0.529	8	124.4287	0.301	15	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0380	0.000	1	124.0380	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.0857	0.137	3	125.0857	0.019	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1710	0.000	1	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7505	0.064	2	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0028	0.452	4	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.0215	0.351	2	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0330	0.000	1	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<5>,1|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,1|H<2>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.6750	0.000	1	123.6758	0.802	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9820	0.034	2	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8925	0.629	12	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.6365	0.033	2	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1410	0.000	1	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|Fe<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9797	0.165	4	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2000	0.000	1	123.8276	0.366	22	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8270	0.000	1	123.8270	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.9910	0.000	1	124.9910	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>}	122.9163	0.942	3	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4150	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9410	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1321	2.259	10	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.9250	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.6130	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.3560	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9750	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2680	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6030	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3250	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4304	0.601	8	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.2780	0.686	3	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7510	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2320	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3305	1.134	11	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1370	0.188	3	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Re<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0240	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7140	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.6620	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2820	0.314	2	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7500	0.528	7	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6708	0.450	111	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9232	0.439	6	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5710	0.510	14	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0645	0.136	2	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4640	0.751	2	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7092	1.502	22	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9540	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1628	0.440	4	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1984	0.502	7	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6363	0.917	7	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9130	1.072	2	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6935	0.876	4	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9280	1.054	3	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.3875	0.250	2	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4500	0.000	1	123.7097	0.726	249	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0340	0.058	2	124.1090	0.099	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1840	0.522	2	124.1090	0.099	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2163	0.191	6	123.8571	0.630	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0590	0.233	2	123.8571	0.630	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1490	0.000	1	123.8571	0.630	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|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[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5007	1.062	8	123.8571	0.630	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2096	0.270	5	124.1890	0.061	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0860	0.000	1	124.1890	0.061	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9613	0.488	15	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7907	0.306	3	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8600	0.167	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	122.9020	0.102	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.9415	0.384	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7760	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5180	0.317	4	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	120.1885	0.175	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0014	0.381	9	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0585	0.101	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8026	0.294	7	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9990	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7850	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4210	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8883	0.316	3	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	119.7640	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0885	0.872	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9924	0.223	5	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5845	0.599	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.2250	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.9350	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2107	0.178	3	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5040	0.402	21	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8234	0.718	50	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4290	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	121.8800	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.2445	0.074	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.5660	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.8230	0.158	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4515	0.879	52	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6113	1.073	84	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0185	0.108	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Pt<4>,1|C<3>}	122.8470	0.409	2	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Pt<6>,1|C<3>}	122.6420	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Ru<6>,1|C<3>}	122.4270	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	120.0080	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.8660	0.000	1	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8908	1.351	19	123.6305	0.913	311	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3083	0.342	6	124.4636	0.166	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.7740	0.395	3	124.4636	0.166	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3780	0.379	3	124.3877	0.096	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4170	0.000	1	124.3877	0.096	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|Br<1>,3|C<3>}	122.9480	0.000	1	122.0535	1.600	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	121.1590	0.000	1	122.0535	1.600	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.6870	0.000	1	123.1750	0.476	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6630	0.000	1	123.1750	0.476	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.2600	0.810	2	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.8613	1.002	7	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.3748	0.944	18	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	123.0860	0.000	1	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9450	0.000	1	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.4869	0.508	37	123.3840	0.520	66	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	125.3050	0.000	1	125.3050	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	124.2710	0.000	1	124.2710	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.1530	0.331	3	124.1530	0.110	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<4>,1|C<3>}	122.5081	0.891	15	122.5564	0.716	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	122.9180	0.242	2	122.5564	0.716	17	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|I<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){2|C<3>}	123.1440	0.185	2	123.1440	0.034	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.5175	0.081	2	122.6326	0.536	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	121.9120	0.000	1	122.6326	0.536	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	122.1327	0.292	3	122.6326	0.536	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.0830	0.000	1	122.6326	0.536	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.8210	0.560	2	124.1943	0.575	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.9410	0.000	1	124.1943	0.575	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<2>,3|C<3>}	125.7890	0.444	2	125.1195	0.851	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.9800	0.000	1	125.1195	0.851	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.9200	0.000	1	125.1195	0.851	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.5760	0.000	1	124.5760	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.5230	0.354	4	124.0235	0.757	40	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.5557	0.319	10	124.0235	0.757	40	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0849	1.022	24	124.0235	0.757	40	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.6265	0.489	2	124.0235	0.757	40	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3895	0.023	2	124.3895	0.001	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>}	123.8885	0.958	2	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.9537	0.541	3	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	120.5270	0.928	2	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.2275	0.808	2	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4894	1.393	44	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.7890	0.218	2	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.7731	0.814	7	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.5953	0.325	7	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.9969	1.322	20	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.3407	0.631	26	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8817	0.984	532	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	124.3125	0.486	2	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	124.1214	0.609	105	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.7382	2.111	4	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	120.3490	0.000	1	123.8556	1.009	759	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.8315	0.378	2	124.9642	0.072	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.0970	0.061	2	124.9642	0.072	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|Si<4>,3|C<3>}	123.4450	0.095	2	123.4450	0.009	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8050	0.539	2	123.8050	0.290	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<3>,1|C<3>}	123.5450	0.042	2	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	123.8885	0.349	2	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.5698	0.738	6	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.0540	0.000	1	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6676	0.545	25	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.6295	0.564	12	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Pt<4>,1|C<3>}	122.7170	0.000	1	123.6184	0.309	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	124.3750	0.000	1	124.3750	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2540	0.000	1	123.8924	1.010	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8322	1.087	6	123.8924	1.010	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4209	0.252	7	123.3693	0.949	93	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|P<4>}	122.7105	1.150	2	123.3693	0.949	93	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.3807	1.010	84	123.3693	0.949	93	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<2>,3|C<3>}	123.7730	0.000	1	123.9277	0.082	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|I<1>,3|C<3>}	123.7510	0.000	1	123.9277	0.082	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.2590	0.000	1	123.9277	0.082	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.0135	0.322	2	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.1870	0.000	1	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	124.2530	0.000	1	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6422	1.102	68	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.9324	0.507	14	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	122.6960	0.153	2	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7782	0.705	12	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1863	0.958	27	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	122.9230	0.618	10	123.5342	0.962	137	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	123.0020	0.000	1	123.0020	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.6193	0.357	12	122.6450	0.159	36	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.5905	0.389	20	122.6450	0.159	36	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.9950	0.490	4	122.6450	0.159	36	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	123.0760	0.000	1	123.0760	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.1700	0.000	1	123.1700	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.0562	0.893	12	123.0444	0.616	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.0090	0.391	4	123.0444	0.616	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.8320	0.000	1	123.6720	0.040	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.5920	0.205	2	123.6720	0.040	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.5829	1.788	52	122.5829	3.198	52	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){1|S<2>,2|C<3>}	124.3535	0.364	4	124.3535	0.132	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	123.6840	0.000	1	123.8033	0.078	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.8203	0.298	7	123.8033	0.078	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	122.6900	0.338	73	122.7492	0.221	91	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.5842	0.743	4	122.7492	0.221	91	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	122.8192	0.729	14	122.7492	0.221	91	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	123.6050	0.000	1	123.6050	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	124.4143	0.353	9	124.4143	0.124	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	124.1320	0.382	4	124.3972	0.461	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	125.4580	0.000	1	124.3972	0.461	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.0846	0.578	140	123.0700	0.622	174	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.0085	2.485	2	123.0700	0.622	174	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.0723	1.303	32	123.0700	0.622	174	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.5825	1.073	2	123.5825	1.151	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.1240	0.000	1	123.1240	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	123.8660	0.000	1	122.4797	1.442	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.7865	0.037	2	122.4797	1.442	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.7622	0.315	20	122.8378	0.214	21	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>,1|C<4>}	124.3500	0.000	1	122.8378	0.214	21	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.8353	0.191	4	123.8353	0.037	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	122.6985	0.561	2	123.2383	0.696	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.3368	0.884	13	123.2383	0.696	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.0380	0.000	1	123.2383	0.696	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	123.3275	0.169	2	123.6483	0.228	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	123.9690	0.494	2	123.6483	0.228	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	123.3530	0.358	3	123.2084	0.139	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	122.9915	0.375	2	123.2084	0.139	5	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	124.1080	0.000	1	124.1080	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(H){1|C<3>}	123.8030	0.000	1	123.8030	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	119.8010	0.000	1	122.8035	1.246	74	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.8613	1.076	71	122.8035	1.246	74	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.2515	0.018	2	122.8035	1.246	74	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]S[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]S[6a]O)(H){1|C<3>}	128.2080	0.000	1	128.2080	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[3x6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	124.1195	0.323	2	124.1195	0.104	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.5730	1.041	4	124.5730	1.083	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,2|N<2>}	123.4540	0.000	1	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.9565	0.627	82	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.9626	0.670	87	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.1040	0.587	34	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.8706	1.318	40	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.9897	0.749	69	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	124.3196	0.348	35	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.4406	0.589	28	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.1143	0.474	21	124.0408	0.545	397	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.5995	0.476	2	123.7906	0.745	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.5210	0.805	6	123.7906	0.745	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|Br<1>,3|C<3>}	123.9270	0.000	1	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.0175	0.442	2	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	126.3655	0.952	2	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|O<2>,3|C<3>}	124.0430	0.000	1	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.4311	0.842	8	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.8716	1.052	32	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.2284	0.638	143	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.7095	1.079	2103	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(H){4|C<3>}	123.9898	0.161	4	123.7491	1.134	2296	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Au)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Au)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3170	0.346	2	124.1489	5.033	10	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Au)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Au<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Au)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1069	2.538	8	124.1489	5.033	10	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1205	0.151	2	124.0610	0.039	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0015	0.284	2	124.0610	0.039	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	124.2350	0.160	3	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.8977	1.176	359	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){2|C<3>}	123.6417	0.294	3	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|B<4>,1|C<3>}	123.4370	0.000	1	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	124.4935	0.110	2	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	122.8522	0.720	18	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.7650	0.047	2	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4242	1.422	1001	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){2|C<3>}	123.4520	0.000	1	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.0885	1.506	8	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.7745	0.375	2	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6116	0.950	2712	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	121.7780	0.313	3	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){2|C<3>}	124.3530	1.847	3	123.5859	1.235	4118	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	123.8865	0.069	2	124.0405	0.134	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.1945	0.551	2	124.0405	0.134	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.1336	0.649	142	124.1336	0.422	142	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	124.4750	0.229	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.9780	0.483	4	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2440	0.455	4	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	124.2649	0.095	10	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	123.8304	0.640	20	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.3555	0.689	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.9975	0.112	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<2>,1|C<3>,2|N<2>}	123.8010	0.000	1	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.3800	0.054	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3319	1.299	27	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	122.8602	0.936	6	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.3190	0.219	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.8605	0.374	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	124.2061	0.113	8	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	122.7359	2.396	11	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.4445	0.067	2	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.5068	2.332	12	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	123.9328	0.700	18	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.2145	0.490	11	123.6008	1.664	146	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.2037	0.294	11	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	124.5280	0.209	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.5420	0.299	8	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.9110	0.185	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	124.5235	0.185	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	123.9745	0.578	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	124.0542	0.274	4	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	124.0685	0.329	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|As<3>,1|H<1>,2|C<3>}	124.0648	0.265	4	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	122.6105	1.303	4	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1535	0.483	6	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	124.2545	0.528	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	124.1652	0.429	19	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	124.3213	0.197	3	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	123.6365	0.172	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.7342	1.005	337	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|Cl<1>,3|C<3>}	123.8490	0.000	1	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	122.1465	0.421	2	123.7939	0.919	413	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.8580	0.000	1	123.3675	0.519	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	123.8770	0.000	1	123.3675	0.519	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Fe)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Fe<8>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Fe)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.9560	0.383	2	124.9560	0.147	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|B<4>,1|C<3>}	123.4793	0.166	4	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Br<1>,1|C<3>}	120.4580	1.764	3	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	123.3822	0.812	48	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.3308	1.056	195	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<6>}	123.3330	0.000	1	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<1>}	117.4720	1.498	3	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	123.1338	0.613	50	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	122.7786	1.093	149	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<4>}	120.7690	0.000	1	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|O<2>}	123.9322	0.658	20	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|P<3>}	123.6200	0.000	1	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|P<4>}	122.7190	0.819	2	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	123.9995	0.349	4	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.7324	2.125	1109	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	122.5950	0.000	1	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.3884	0.872	619	122.9992	2.844	2210	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.3190	0.000	1	125.3190	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.8575	1.445	2	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<2>,1|C<3>}	124.8630	0.000	1	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5638	1.355	219	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	124.4680	0.000	1	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.3965	0.357	2	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.9758	1.949	5	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	125.0370	0.000	1	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	124.8743	0.281	4	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.6228	0.819	313	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){2|C<3>}	125.3380	0.367	3	124.2027	1.418	551	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,3|C<4>}	124.2940	0.000	1	124.7849	0.968	12	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	123.1205	0.192	2	124.7849	0.968	12	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	125.4697	0.337	7	124.7849	0.968	12	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.2980	0.631	2	124.7849	0.968	12	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|I<1>,1|N<2>,2|C<3>}	123.6880	0.000	1	124.4585	0.298	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.5355	0.508	10	124.4585	0.298	11	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	125.1400	0.252	2	123.5047	1.022	21	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	123.2784	0.890	18	123.5047	1.022	21	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	124.3080	0.000	1	123.5047	1.022	21	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	124.7798	1.019	8	124.7798	1.039	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	124.7280	0.000	1	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	124.1124	1.027	5	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	124.7820	0.438	2	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1452	1.268	10	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	124.4185	0.409	4	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	119.2710	0.363	4	123.5025	4.221	26	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9059	1.688	127	123.8590	2.927	135	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.1151	2.016	8	123.8590	2.927	135	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4896	0.862	14	124.4744	0.646	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3675	0.033	2	124.4744	0.646	16	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.1880	0.000	1	123.1880	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0550	0.000	1	124.0550	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2335	0.248	2	124.2335	0.062	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6000	0.000	1	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.1199	0.523	15	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2280	0.145	7	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	123.9670	0.253	2	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	123.8070	0.000	1	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4472	0.626	5	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.3433	2.430	6	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.4495	0.692	2	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6032	0.745	32	123.5385	0.852	71	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1640	0.000	2	124.1640	0.000	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2782	0.348	4	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.9855	1.019	2	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	123.7698	1.156	4	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.4410	0.000	1	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5698	0.491	15	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5230	0.929	23	123.6363	0.628	49	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.2125	0.559	2	124.2125	0.313	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4190	0.000	1	124.4190	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1847	0.122	3	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.4885	0.022	2	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	123.8120	0.000	1	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.9783	0.706	4	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.3231	0.680	15	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7387	0.091	3	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.3525	0.107	2	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.6323	0.469	3	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.0620	0.000	1	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.8134	1.109	7	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.2580	0.000	1	123.8318	0.722	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.2484	1.260	9	123.2484	1.588	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	123.7825	0.039	2	123.7825	0.002	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.4685	0.776	2	123.0948	0.436	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	122.7210	0.385	2	123.0948	0.436	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.7515	0.727	6	122.5658	0.375	59	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.2759	0.799	19	122.5658	0.375	59	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.4578	0.255	4	122.5658	0.375	59	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.7267	0.405	30	122.5658	0.375	59	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.7342	0.358	6	123.7342	0.128	6	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Pt<4>,1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	120.0960	0.000	1	120.0960	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	123.2990	0.030	2	122.9268	1.157	18	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.8042	1.084	9	122.9268	1.157	18	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|Cl<1>,1|C<3>}	121.8910	2.243	2	122.9268	1.157	18	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	123.6322	0.424	4	122.9268	1.157	18	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	122.5350	0.000	1	122.9268	1.157	18	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.3828	0.418	4	125.3828	0.175	4	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	123.5850	0.000	1	123.5850	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	125.2830	0.000	1	125.2830	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.9070	0.410	74	122.9070	0.168	74	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.0965	0.088	2	123.0965	0.008	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	119.0943	0.822	3	121.7298	4.421	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.3135	0.566	2	121.7298	4.421	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.4145	0.525	4	121.7298	4.421	9	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	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[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.2329	0.331	8	122.2329	0.110	8	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	124.4990	0.000	1	124.4990	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]H)(H){1|Fe<10>,1|C<3>,2|C<4>}	123.2760	0.000	1	123.2760	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(H){1|C<3>}	122.1930	0.000	1	122.1930	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	123.8930	0.652	3	123.8930	0.425	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.5104	0.697	7	123.5104	0.485	7	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.1624	0.461	22	122.9055	0.394	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.6228	0.675	20	122.9055	0.394	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	123.1670	0.000	1	123.1670	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	123.1526	1.267	36	123.0453	2.176	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.4015	2.453	6	123.0453	2.176	42	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Si)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]Si)(C[6a]N[6a]H)(H){1|C<3>}	123.2130	0.000	1	123.2130	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Pd<4>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Pd)(C[6a]C[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.5105	0.483	2	122.5105	0.233	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1390	0.000	1	124.0773	0.005	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|P<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.0465	0.070	2	124.0773	0.005	3	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1600	0.000	1	124.1600	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|Si<4>,1|C<3>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	124.1760	0.000	1	124.1760	0.000	1	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|P<3>}	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]H)2(H){1|C<3>}	122.5790	0.088	2	122.5790	0.008	2	123.5833	1.473	16451	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	122.7360	0.516	2	122.9353	0.100	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	123.0300	0.127	2	122.9353	0.100	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	123.0400	0.313	2	122.9353	0.100	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|H<1>,3|C<3>}	122.7555	0.081	2	122.7555	0.007	2	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|I<1>,1|N<2>,2|C<3>}	122.5240	0.000	1	122.5240	0.000	1	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	122.6635	0.245	2	122.6258	0.017	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	122.6465	0.076	2	122.6258	0.017	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	122.5675	0.101	2	122.6258	0.017	6	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	121.6780	2.585	2	121.6780	6.683	2	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	124.7510	0.385	3	124.7510	0.148	3	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]H)2(I){1|C<3>}	122.2000	0.000	1	122.2000	0.000	1	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	122.4700	0.246	2	122.4700	0.061	2	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	123.2210	1.138	2	123.2210	1.296	2	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	123.4160	0.000	1	123.4160	0.000	1	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|I<1>}	C[6a](C[6a]N[6a]H)2(I){1|C<3>}	121.7110	0.320	2	121.7110	0.102	2	122.8368	0.999	28	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N){1|C<3>,1|H<1>}	120.6113	0.257	3	120.6113	0.066	3	120.6113	0.066	3	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(S){1|C<3>,1|H<1>}	122.9820	0.000	1	122.9820	0.000	1	122.9820	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(H){1|C<4>,2|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[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	121.6420	0.000	1	121.6420	0.000	1	121.6420	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H){1|H<1>,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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.5760	0.000	1	124.5760	0.000	1	124.4250	0.488	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	123.4510	0.000	1	124.0857	0.416	3	124.4250	0.488	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	124.4030	0.477	2	124.0857	0.416	3	124.4250	0.488	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	125.2920	0.000	1	125.2920	0.000	1	124.4250	0.488	5	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(Br){1|N<3>,1|O<1>}	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	123.2270	0.000	1	123.2270	0.000	1	122.6250	0.725	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(Cl){1|N<3>,1|O<1>}	122.0230	0.000	1	122.0230	0.000	1	122.6250	0.725	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(H){1|N<3>,1|O<1>}	124.0120	0.000	1	124.0120	0.000	1	124.0120	0.000	1	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(H){1|H<1>,2|C<3>}	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	124.9895	0.064	2	124.9895	0.004	2	124.9895	0.004	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<4>,2|C<3>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>}	125.0180	0.000	1	125.0180	0.000	1	124.1153	0.431	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	123.8143	0.322	3	123.8143	0.104	3	124.1153	0.431	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|I<1>,3|C<3>}	122.3700	0.485	2	122.2665	0.221	4	122.2665	0.221	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|Br<1>,3|C<3>}	122.1630	0.621	2	122.2665	0.221	4	122.2665	0.221	4	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl){1|I<1>,3|C<3>}	122.3810	0.632	2	122.3810	0.400	2	122.3810	0.400	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|H<1>,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[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	125.8260	0.000	1	125.8260	0.000	1	125.7195	0.023	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]I)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	125.6130	0.000	1	125.6130	0.000	1	125.7195	0.023	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Br<1>,3|C<3>}	122.6085	0.319	2	122.6160	0.049	6	122.6160	0.049	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|I<1>,3|C<3>}	122.7430	0.267	2	122.6160	0.049	6	122.6160	0.049	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Cl<1>,3|C<3>}	122.4965	0.098	2	122.6160	0.049	6	122.6160	0.049	6	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	118.0935	0.791	2	118.0935	0.626	2	118.0935	0.626	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	117.3720	0.382	2	117.3720	0.146	2	117.3720	0.146	2	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){4|C<3>}	116.7660	0.045	2	116.7660	0.002	2	118.6833	1.104	16	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	118.8448	0.448	11	118.8448	0.201	11	118.6833	1.104	16	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.6833	1.104	16	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	117.9620	0.000	1	117.9620	0.000	1	118.6833	1.104	16	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(H){1|C<3>}	121.1960	0.000	1	121.1960	0.000	1	118.6833	1.104	16	123.6167	1.586	17622	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	126.0625	0.544	2	126.0625	0.296	2	126.0625	0.296	2	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	124.9910	0.000	1	124.9910	0.000	1	124.9910	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>}	124.0145	0.037	2	124.0145	0.001	2	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>}	124.8840	0.000	1	124.8840	0.000	1	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(CC){1|Br<1>,3|C<3>}	124.8975	0.438	2	124.8975	0.192	2	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	123.8815	0.159	2	123.8815	0.025	2	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN){1|C<3>}	124.6250	0.000	1	124.6250	0.000	1	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>}	124.5410	0.000	1	124.5410	0.000	1	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<3>,2|C<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>}	124.1295	0.214	2	124.1295	0.046	2	124.3542	0.202	11	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>}	125.3870	0.000	1	125.3870	0.000	1	125.5983	0.067	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	125.8880	0.000	1	125.8880	0.000	1	125.5983	0.067	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	125.5200	0.000	1	125.5200	0.000	1	125.5983	0.067	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>}	123.7188	0.435	15	123.7188	0.190	15	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	124.1923	0.411	3	124.1923	0.169	3	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	124.4142	0.349	6	124.4142	0.122	6	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	123.9580	0.000	1	123.9580	0.000	1	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)2(OC){1|C<3>}	123.9305	0.054	2	123.9305	0.003	2	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]Cl)2(OC[6a]){1|C<3>}	123.5935	0.415	2	123.5935	0.172	2	123.9259	0.224	29	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>}	125.7680	0.000	1	125.7680	0.000	1	125.7680	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(OC){1|N<3>,3|C<3>}	123.4540	0.000	1	123.4540	0.000	1	123.2850	0.088	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	123.2005	0.366	2	123.2005	0.134	2	123.2850	0.088	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|S<2>,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[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	122.9130	0.800	5	122.9130	0.641	5	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	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>}	122.2430	0.000	2	122.2430	0.000	2	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	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>}	122.4165	0.422	2	122.4165	0.178	2	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	121.7960	0.000	1	121.7960	0.000	1	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	121.5130	0.000	1	121.5130	0.000	1	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	122.0531	0.643	8	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	121.6610	0.000	1	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	122.5240	0.000	1	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	122.5885	0.327	4	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<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>}	118.8640	0.000	1	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	122.6848	0.483	4	122.1351	0.949	19	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	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>}	121.8630	0.349	2	121.8630	0.122	2	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.2377	0.734	33	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]H)(CC){4|C<3>}	125.4510	0.000	1	125.4510	0.000	1	124.9457	0.199	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC){1|H<1>,3|C<3>}	124.6930	0.122	2	124.6930	0.015	2	124.9457	0.199	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.2397	0.812	40	124.2397	0.659	40	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	122.7620	0.000	1	122.7620	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.9525	0.390	2	124.9525	0.152	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	123.5090	0.000	1	123.8795	0.232	4	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.0030	0.506	3	123.8795	0.232	4	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	122.5930	0.030	2	122.5930	0.001	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	123.6900	0.000	1	123.6900	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.5270	0.222	2	124.5270	0.049	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.5200	0.000	1	124.5200	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|C<4>}	124.4430	0.442	4	124.3242	0.217	5	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	123.8490	0.000	1	124.3242	0.217	5	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	124.6620	0.000	1	124.6620	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	122.6460	0.000	1	122.6460	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	122.5015	0.487	10	122.5015	0.237	10	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CN){1|C<3>}	123.6410	0.000	1	123.6410	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	123.3102	0.260	6	123.3102	0.068	6	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	123.4140	0.000	1	123.4140	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CC){1|Br<1>,3|C<3>}	123.9790	0.119	2	123.9790	0.014	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.9643	0.712	3	124.9643	0.507	3	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	123.6695	0.504	2	123.6695	0.254	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	122.9300	0.000	1	122.9300	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|C<4>}	126.3570	0.000	1	123.9639	0.993	58	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	123.9664	0.935	45	123.9639	0.993	58	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<3>,1|O<2>}	122.9734	0.477	5	123.9639	0.993	58	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC){1|C<2>,1|C<3>}	124.3133	0.981	7	123.9639	0.993	58	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	122.1593	0.232	3	122.2580	0.075	4	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<2>,1|C<3>}	122.5540	0.000	1	122.2580	0.075	4	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC){1|C<3>,1|H<1>}	124.4980	0.000	1	124.4980	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN){1|C<3>,1|H<1>}	122.2950	0.000	1	122.2950	0.000	1	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN){1|C<3>}	122.1350	0.247	2	122.1350	0.061	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]H)2(CC){1|C<3>}	122.2575	0.295	2	122.2575	0.087	2	123.8228	1.014	154	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-2:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a]){1|C<3>,1|H<1>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	123.8920	0.000	1	123.8920	0.000	1	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	123.9050	0.000	1	123.9050	0.000	1	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	123.5750	0.000	1	123.5750	0.000	1	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|C<4>}	123.5323	0.014	3	123.7861	0.646	40	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	123.8067	0.833	37	123.7861	0.646	40	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	122.9345	0.803	13	122.9345	0.645	13	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	125.0600	0.660	3	125.3916	0.509	5	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	125.8890	0.583	2	125.3916	0.509	5	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	123.8900	0.000	1	123.8900	0.000	1	123.7389	0.938	62	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	122.9810	0.000	1	122.9137	0.156	4	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	123.4270	0.000	1	122.9137	0.156	4	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	122.7490	0.000	1	122.9137	0.156	4	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	122.4980	0.000	1	122.9137	0.156	4	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	122.3110	0.000	1	123.0097	0.500	8	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	123.1096	0.700	7	123.0097	0.500	8	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	122.5290	0.000	1	122.5290	0.000	1	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	123.9040	0.000	1	123.9040	0.000	1	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	123.2960	0.000	1	123.2960	0.000	1	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	121.7240	0.000	1	122.1887	0.247	6	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	122.2816	0.494	5	122.1887	0.247	6	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	121.8900	0.000	1	122.8192	0.335	6	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	123.1015	0.389	4	122.8192	0.335	6	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	122.6190	0.000	1	122.8192	0.335	6	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	121.6940	0.000	1	121.6940	0.000	1	122.7572	0.453	28	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	123.4875	0.023	2	123.4875	0.001	2	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OS){1|C<3>,1|H<1>}	122.0200	0.044	2	122.0200	0.002	2	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	124.4825	0.552	2	124.4825	0.305	2	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){2|C<3>}	122.8050	0.000	1	122.8050	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	124.0710	0.248	3	124.0710	0.062	3	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	122.3700	0.686	12	122.3700	0.470	12	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(OP){1|H<1>,3|C<3>}	123.7660	0.000	1	123.7660	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH){1|C<3>,1|C<4>}	122.8010	0.000	1	122.8010	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6]){1|C<3>,1|H<1>}	123.7940	0.000	1	123.7940	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|Br<1>,1|C<3>}	122.8780	0.000	2	122.7545	0.328	11	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<2>,1|C<3>}	122.9656	0.450	5	122.7545	0.328	11	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){1|C<3>,1|C<4>}	121.8025	0.081	2	122.7545	0.328	11	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC){2|C<3>}	123.0555	0.463	2	122.7545	0.328	11	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	122.2918	0.878	5	122.2918	0.771	5	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH){2|C<3>}	122.6870	0.000	1	122.6870	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6]){1|C<3>,1|H<1>}	122.4215	0.451	13	122.4215	0.203	13	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OSn)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OSn){1|C<3>,1|H<1>}	122.9000	0.000	1	122.9000	0.000	1	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6a]N[6a]H)2(OC){1|C<3>}	122.5225	0.522	4	122.5225	0.272	4	122.7119	0.595	60	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(SC[6a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(SC[6a]){1|C<2>,3|C<3>}	125.0550	0.000	1	125.0550	0.000	1	124.4843	1.566	8	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SC)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SC){1|C<2>,1|C<3>}	125.8470	0.069	2	125.8470	0.005	2	124.4843	1.566	8	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SC)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SC){1|C<3>,1|H<1>}	124.2470	0.000	1	124.2470	0.000	1	124.4843	1.566	8	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SC)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(SC){1|C<3>,1|H<1>}	124.7690	0.325	2	124.7690	0.106	2	124.4843	1.566	8	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(SH)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[6a](C[6a]N[6a]H)2(SH){1|C<3>}	122.6700	0.115	2	122.6700	0.013	2	124.4843	1.566	8	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{2|Se<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a]){1|Se<2>,1|C<3>}	123.4595	0.316	2	123.4595	0.100	2	123.4595	0.100	2	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	120.7210	1.105	2	120.7210	1.220	2	121.1407	1.138	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	121.9800	0.000	1	121.9800	0.000	1	121.1407	1.138	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC)	C[6a](C[6a]C[6a]O)(N[6a]N[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OC){1|N<3>,1|O<1>}	123.2400	0.400	3	123.2400	0.160	3	123.2400	0.160	3	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	125.0537	0.514	3	125.0537	0.264	3	124.7518	0.541	4	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH){1|C<3>,1|H<1>}	123.8460	0.000	1	123.8460	0.000	1	124.7518	0.541	4	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>}	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH){1|C<3>}	121.1055	0.047	2	121.1055	0.002	2	121.1055	0.002	2	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	118.5460	0.000	1	118.5460	0.000	1	118.5460	0.000	1	123.4623	1.365	416	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>}	126.6390	0.000	1	126.6390	0.000	1	124.9840	1.176	10	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	123.9087	0.640	3	123.9087	0.409	3	124.9840	1.176	10	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Se<2>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]C)(COO){1|C<3>,1|O<2>}	125.2458	0.793	6	125.2458	0.629	6	124.9840	1.176	10	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]Br)(C[6a]C[6a]2){1|Br<1>,2|H<1>,3|C<3>}	125.9700	0.000	1	125.9700	0.000	1	125.3807	1.171	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	126.0400	0.000	1	126.0400	0.000	1	125.3807	1.171	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.1320	0.000	1	124.1320	0.000	1	125.3807	1.171	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	126.1190	0.000	1	126.1190	0.000	1	125.5340	0.770	5	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	125.3877	0.940	4	125.3877	0.884	4	125.5340	0.770	5	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl){2|N<3>,4|C<3>}	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	127.1150	0.000	1	127.1150	0.000	1	126.1887	0.703	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(Cl){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[6a]Cl){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2){1|H<1>,4|C<3>}	125.7255	0.344	2	125.7255	0.119	2	126.1887	0.703	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.4520	0.356	2	124.4520	0.127	2	124.4520	0.127	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[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[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	C[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl){1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	127.0000	0.000	1	127.0000	0.000	1	127.0000	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.3730	0.000	1	124.3730	0.000	1	124.3730	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	125.0360	0.000	1	125.0360	0.000	1	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>}	125.4060	0.000	1	125.4060	0.000	1	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	125.0721	0.320	27	125.0721	0.103	27	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,1|H<1>}	124.7710	0.000	1	124.7710	0.000	1	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|Br<1>,1|C<3>}	125.6625	0.163	2	125.3327	0.879	7	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>}	125.2008	1.112	5	125.3327	0.879	7	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CHO){2|C<3>}	126.5330	0.000	1	126.5330	0.000	1	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	125.9240	0.000	1	125.8873	0.371	3	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	125.8690	0.860	2	125.8873	0.371	3	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	126.1986	0.435	11	126.1986	0.189	11	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	126.8687	0.296	3	126.8687	0.087	3	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|F<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(COO){1|C<3>,1|F<1>}	124.1480	0.000	1	124.1480	0.000	1	125.4754	0.563	56	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)2{1|Br<1>,2|H<1>,5|C<3>}	125.5870	0.042	2	125.5870	0.002	2	125.4002	0.130	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]N[6a]Cl)2(C[6a]C[6a]2){2|H<1>,3|C<3>}	125.4922	0.408	4	125.4922	0.166	4	125.4002	0.130	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)2{1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	125.1460	0.000	1	125.0295	0.027	2	125.4002	0.130	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)2{3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.9130	0.000	1	125.0295	0.027	2	125.4002	0.130	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>}	126.1540	0.000	1	126.1540	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	124.8660	0.000	1	124.8660	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCuC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCuC){1|C<3>,1|H<1>}	125.1080	0.000	1	125.1080	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	124.9250	0.378	2	124.9250	0.143	2	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>}	124.8540	0.000	1	124.8540	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>}	122.1245	0.012	2	122.0673	0.010	3	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	121.9530	0.000	1	122.0673	0.010	3	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	124.2370	0.000	1	124.2370	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	122.8360	0.000	1	122.8360	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	126.6100	0.000	1	126.6100	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	126.1160	0.000	1	126.1160	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	119.2350	0.000	1	119.2350	0.000	1	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)2(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)2(NCC){1|C<3>}	123.6345	0.322	2	123.6345	0.104	2	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	122.1909	0.416	7	122.1909	0.173	7	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	122.5500	0.191	2	122.5500	0.036	2	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	121.9620	0.441	3	121.9620	0.194	3	123.2021	2.941	28	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	124.3200	0.000	1	124.3200	0.000	1	124.3200	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(Cl){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](N[6]C[6,6a]C[6])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	123.5110	0.000	1	123.5110	0.000	1	123.5110	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	126.1764	1.826	21	126.2427	3.286	23	126.2584	3.149	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	126.9380	2.130	2	126.2427	3.286	23	126.2584	3.149	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]N[6a]F){2|H<1>,3|C<3>}	126.6200	0.000	1	126.6200	0.000	1	126.2584	3.149	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F){1|H<1>,1|I<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]N[6a]F){1|F<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	127.3350	0.591	2	127.3350	0.349	2	127.1180	0.316	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]F)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]F){2|H<1>,3|C<3>}	126.6840	0.000	1	126.6840	0.000	1	127.1180	0.316	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH){1|N<3>,1|O<1>}	127.9545	0.046	2	127.9545	0.002	2	127.9545	0.002	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	125.5310	0.000	1	125.5310	0.000	1	125.5310	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	125.6525	0.779	4	125.6104	0.260	10	125.5981	0.346	14	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	125.5823	0.319	6	125.6104	0.260	10	125.5981	0.346	14	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	125.2340	0.639	3	125.2340	0.408	3	125.5981	0.346	14	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H){4|C<3>}	126.5670	0.000	1	126.5670	0.000	1	125.5981	0.346	14	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[6])(C[5a]N[5a]O[5a])(C[6a]N[6a]H){1|N<2>,2|C<4>,3|C<3>}	124.8140	0.000	2	124.8140	0.000	2	124.8140	0.000	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	123.5350	0.166	4	123.5350	0.027	4	123.5350	0.027	4	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(H){5|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	123.9120	0.177	2	124.3051	4.667	8	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	124.4362	2.539	6	124.3051	4.667	8	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<2>,2|C<3>,2|H<1>}	124.7090	0.000	2	124.7090	0.000	2	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.5440	0.000	1	121.5440	0.000	1	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.8600	0.000	1	123.8600	0.000	1	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.2810	0.000	1	123.2810	0.000	1	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,3|C<3>}	124.6870	0.000	1	124.6870	0.000	1	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,4|C<4>}	125.1733	0.487	3	125.1733	0.237	3	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	124.1750	0.311	2	123.5805	3.196	11	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	124.8253	0.404	3	123.5805	3.196	11	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	122.7600	2.104	6	123.5805	3.196	11	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	122.9830	0.000	1	122.9830	0.000	1	123.9697	2.892	29	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(H){1|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	128.1350	0.000	1	128.1350	0.000	1	128.1350	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	126.7890	0.000	1	126.7890	0.000	1	126.7890	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	122.9300	2.555	4	122.9300	6.526	4	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	123.5390	0.372	2	123.5987	0.080	3	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.7180	0.000	1	123.5987	0.080	3	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.8470	0.000	1	123.8470	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	124.4010	0.000	1	124.4010	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	124.8000	0.000	1	124.5790	0.098	2	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	124.3580	0.000	1	124.5790	0.098	2	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.6070	0.000	1	124.6070	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.8780	0.000	1	123.8780	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]N[6a]H)2{1|N<3>,2|C<3>,2|C<4>}	122.8197	0.583	3	122.8197	0.339	3	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.8560	0.000	1	123.8560	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]N[6a]H)2{1|H<1>,3|C<3>}	122.5353	1.246	4	122.5353	1.553	4	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]N[6a]H)2{1|H<1>,3|C<3>}	123.5235	0.026	2	123.5235	0.001	2	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	122.7120	0.000	1	122.7120	0.000	1	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.6725	0.529	8	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|C<3>,2|H<1>}	123.5965	0.559	2	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.9195	0.552	2	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7610	0.000	1	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.8430	0.000	1	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	124.1590	0.000	1	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	124.5650	0.000	1	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	123.5515	0.826	13	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.6850	0.000	1	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.3335	0.293	2	124.0082	0.598	32	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.5325	0.477	2	124.1003	0.330	4	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	123.6680	0.116	2	124.1003	0.330	4	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	123.3514	2.830	5	123.3514	8.011	5	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.1140	0.000	1	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9010	0.000	1	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	123.7990	0.559	2	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>,2|N<2>}	123.8020	0.000	1	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.4685	0.310	2	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.1696	0.638	7	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	123.4597	0.128	4	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.2755	0.474	2	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	124.1736	0.808	5	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<3>}	123.5923	0.904	3	123.8776	0.408	28	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|N<2>,2|C<3>}	122.9610	0.000	1	123.4245	0.188	10	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.5040	0.463	7	123.4245	0.188	10	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	123.6440	0.000	1	123.4245	0.188	10	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.1120	0.000	1	123.4245	0.188	10	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	123.7198	1.034	6	123.7107	0.764	8	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	123.6950	0.000	1	123.7107	0.764	8	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.6720	0.000	1	123.7107	0.764	8	123.7346	1.043	111	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]H){1|H<1>,3|C<3>}	122.6090	0.250	2	122.6090	0.063	2	123.6768	1.062	5	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|N<3>,3|C<3>}	124.6185	0.261	2	124.6185	0.068	2	123.6768	1.062	5	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.9290	0.000	1	123.9290	0.000	1	123.6768	1.062	5	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	125.9420	0.000	1	125.9420	0.000	1	125.9420	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	125.3015	0.368	2	125.3015	0.136	2	125.0900	0.313	11	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,6|C<3>}	124.8150	0.000	1	124.8150	0.000	1	125.0900	0.313	11	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){3|H<1>,5|C<3>}	124.8711	0.311	7	124.8711	0.096	7	125.0900	0.313	11	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<3>,2|H<1>,5|C<3>}	126.4740	0.000	1	126.4740	0.000	1	125.0900	0.313	11	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	124.5273	0.245	3	124.5273	0.060	3	124.1386	0.250	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BOO){1|C<3>,1|H<1>}	124.5540	0.000	1	124.5540	0.000	1	124.1386	0.250	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	C[6a](C[6a]N[6a]H)2(BOO){1|C<3>}	123.5030	0.075	2	123.5030	0.006	2	124.1386	0.250	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)2(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	C[6a](C[6a]N[6a]H)2(BOO){1|C<3>}	123.9835	0.374	2	123.9835	0.140	2	124.1386	0.250	8	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2)	C[6a](C[6a]C[6a]B[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|B<3>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(B[5]O[5]2){1|Cl<1>,1|C<3>,2|C<4>}	124.3900	0.000	2	124.3900	0.000	2	124.3900	0.000	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.9687	0.297	3	123.9687	0.088	3	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<2>,1|C<3>}	125.3690	0.363	2	125.3690	0.132	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	C[6a](C[6a]N[6a]H)2(CCH){1|C<3>}	123.8480	0.150	2	123.8480	0.022	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO){1|H<1>,3|C<3>}	124.9260	0.000	1	124.9260	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){2|C<3>}	124.4690	0.000	1	124.4690	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	124.7345	0.620	2	124.7345	0.385	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.8850	0.160	2	123.0247	2.233	3	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|O<2>}	121.3040	0.000	1	123.0247	2.233	3	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	124.4310	0.000	1	124.4310	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	124.3215	0.523	4	124.3215	0.273	4	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.7525	0.081	2	123.8712	0.121	12	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.8949	0.378	10	123.8712	0.121	12	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	126.2030	0.020	2	126.2030	0.000	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	123.5630	0.000	1	123.5630	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	125.1630	0.580	2	125.1630	0.336	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	124.2744	1.307	5	124.2744	1.707	5	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.8201	0.352	7	123.8201	0.124	7	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(COO){1|C<2>,3|C<3>}	125.6535	0.043	2	125.6535	0.002	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	124.7430	0.000	1	124.7430	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	124.6690	0.000	1	124.6690	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.4900	0.000	1	124.4760	1.944	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	125.4620	0.000	1	124.4760	1.944	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	126.0330	0.000	1	126.0330	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(CCC){1|C<3>}	123.6718	0.370	6	123.6718	0.137	6	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(CC[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(CC[5]H){1|C<3>}	123.2115	0.029	2	123.2115	0.001	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(CC[6a]O){1|C<3>}	122.1595	0.221	2	122.1595	0.049	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(COO){1|C<3>}	121.7587	1.531	6	121.7587	2.345	6	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]H)2(COO){1|C<3>}	122.9175	1.166	2	122.9175	1.360	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6]){1|C<3>}	124.2150	0.000	1	124.2150	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	128.1220	0.000	1	128.1220	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CNO){1|H<1>,3|C<3>}	124.0215	0.661	4	124.0215	0.436	4	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	123.9040	2.988	2	123.9040	8.930	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	124.4150	0.000	1	124.4150	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO){1|H<1>,3|C<3>}	123.8520	0.335	2	123.8520	0.112	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC){1|C<3>,1|H<1>}	122.3090	0.000	2	122.3090	0.000	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	124.6407	0.602	8	124.6407	0.363	8	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	124.8155	0.958	21	124.6729	0.785	27	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){2|C<3>}	124.1737	0.163	6	124.6729	0.785	27	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	123.7800	0.824	16	123.7800	0.680	16	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	124.1530	0.545	23	124.1530	0.297	23	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS){1|C<3>,1|H<1>}	124.6840	0.621	2	124.6840	0.385	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C){1|C<3>,1|H<1>}	122.5280	0.000	1	122.5280	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H){1|C<3>,1|H<1>}	125.0283	0.121	3	125.0283	0.015	3	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2){1|C<3>,1|H<1>}	123.9740	1.123	5	123.9740	1.260	5	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O){1|C<3>,1|H<1>}	124.3010	0.000	1	124.3010	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H){1|C<3>,1|H<1>}	124.3836	0.640	7	124.3836	0.409	7	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O){1|C<3>,1|H<1>}	123.9850	0.000	1	123.9850	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C){1|C<3>,1|H<1>}	123.9430	0.000	1	123.9430	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	125.2950	0.000	1	125.2950	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	123.8110	0.598	3	123.8110	0.358	3	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	123.9610	0.740	2	123.9627	0.214	4	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	123.9645	0.310	2	123.9627	0.214	4	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHN){1|C<3>,1|H<1>}	123.9745	0.728	43	123.9745	0.530	43	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNN){1|C<3>,1|H<1>}	123.4043	0.627	6	123.4043	0.393	6	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|Br<1>,1|C<3>}	123.7010	0.413	3	123.6697	0.587	243	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	123.6519	0.764	232	123.6697	0.587	243	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNO){2|C<3>}	124.1748	0.816	8	123.6697	0.587	243	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	123.5821	0.226	8	123.5821	0.051	8	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]O){1|C<3>,1|H<1>}	122.3430	0.000	1	122.3430	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|Br<1>,1|C<3>}	123.1704	0.859	5	123.4371	1.346	74	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|F<1>}	123.3620	0.000	1	123.4371	1.346	74	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.6313	1.180	43	123.4371	1.346	74	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|O<2>}	122.0480	0.000	1	123.4371	1.346	74	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){2|C<3>}	123.2058	1.172	24	123.4371	1.346	74	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	125.0680	0.000	1	125.0680	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	125.8480	0.201	2	125.8480	0.040	2	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	125.0700	0.000	1	125.0700	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CNO){1|C<3>,1|H<1>}	125.3503	0.419	4	125.3503	0.176	4	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|S<4>}	124.0480	0.000	1	124.0480	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.7510	0.000	1	123.7510	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	123.8780	0.000	1	123.8780	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO){1|C<3>}	125.0650	0.000	1	125.0650	0.000	1	123.8346	0.935	576	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.1600	0.343	4	123.1600	0.118	4	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.2400	0.000	1	123.2400	0.000	1	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.9640	0.301	2	123.9640	0.091	2	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,3|C<3>}	123.8800	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,3|C<3>}	121.1700	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	123.4155	0.049	2	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Co<6>,2|H<1>,3|C<3>}	123.8320	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Fe<6>,2|H<1>,3|C<3>}	123.5670	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|Mn<6>,2|H<1>,3|C<3>}	123.4900	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){3|C<3>,3|H<1>}	119.2010	3.706	3	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|C<4>,1|H<1>,4|C<3>}	124.2140	0.000	1	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	123.0032	0.621	6	122.5062	4.734	17	122.7672	3.524	24	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>}	124.4375	0.091	2	124.4375	0.008	2	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]Ir)(C[6a]N[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	C[6a](C[6a]N[6a]Ir)(C[6a]N[6a]H)(C[6]N[6]2){3|C<3>}	122.2655	0.210	2	122.2655	0.044	2	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(C[6]C[6]2){1|H<1>,1|N<2>,3|C<3>}	122.9875	0.084	2	122.5315	0.283	4	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	122.0755	0.094	2	122.5315	0.283	4	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	123.5915	0.057	2	124.1084	0.554	9	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){3|C<3>,3|H<1>}	124.2561	0.789	7	124.1084	0.554	9	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2){1|H<1>,1|S<2>,2|C<3>}	124.2010	0.000	1	124.2010	0.000	1	123.5949	1.032	18	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,2|H<1>,3|C<3>}	123.8355	0.046	2	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.0080	0.000	1	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	124.7880	0.000	1	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.5900	1.513	5	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	125.6815	0.465	2	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	123.8800	0.000	1	124.5550	1.252	12	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){3|C<3>,3|H<1>}	125.4443	0.281	3	125.4443	0.079	3	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	125.7590	0.000	1	124.7998	0.297	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|H<1>,3|C<3>}	124.7130	0.000	1	124.7998	0.297	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.8310	0.345	2	124.7998	0.297	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.3325	0.039	2	124.7998	0.297	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,4|C<3>}	124.4720	0.846	8	124.4720	0.716	8	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	125.3790	1.025	5	125.3790	1.051	5	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.7650	0.158	2	123.7650	0.025	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	124.3110	0.000	1	124.3032	0.295	5	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|H<1>,3|C<3>}	124.3340	0.000	1	124.3032	0.295	5	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.2903	0.767	3	124.3032	0.295	5	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	125.0795	0.325	2	124.8752	0.335	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	125.3100	0.000	1	124.8752	0.335	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	125.0226	0.635	5	124.8752	0.335	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.3483	0.457	3	124.8752	0.335	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H){1|C<2>,2|H<1>,5|C<3>}	126.4560	0.000	1	126.4560	0.000	1	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.8130	0.254	3	124.8130	0.064	3	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.5840	0.000	1	124.3317	0.078	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	124.2477	0.272	3	124.3317	0.078	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	124.4150	0.276	2	124.4150	0.076	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{1|C<3>,2|H<1>,2|N<2>}	123.2512	0.666	10	123.4167	0.325	50	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.9925	0.144	2	123.4167	0.325	50	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{1|H<1>,1|N<2>,3|C<3>}	122.9900	0.075	2	123.4167	0.325	50	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{2|H<1>,3|C<3>}	123.5617	0.576	30	123.4167	0.325	50	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{5|C<3>}	123.2507	0.323	6	123.4167	0.325	50	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2{3|C<3>}	122.5203	0.189	4	122.5203	0.036	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2{1|H<1>,4|C<3>}	124.3732	0.318	6	124.3732	0.101	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{2|F<1>,3|C<3>}	124.0650	0.000	1	124.4749	0.278	15	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{2|H<1>,3|C<3>}	124.5042	0.534	14	124.4749	0.278	15	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.4500	0.000	1	123.9525	0.495	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	123.4550	0.000	1	123.9525	0.495	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.6430	1.638	2	123.6430	2.682	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.6665	0.087	2	123.6665	0.008	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	125.3525	0.073	2	125.0085	0.192	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<2>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.8840	0.000	1	125.0085	0.192	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.4450	0.000	1	125.0085	0.192	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.6047	0.892	3	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,2|H<1>,3|C<3>}	124.5360	0.000	1	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.4915	0.030	2	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	124.6493	0.446	6	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.4130	0.000	1	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|O<2>,2|H<1>,3|C<3>}	122.3640	2.717	3	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	123.3980	0.000	1	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	124.7765	0.897	26	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.1205	0.015	2	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	125.0420	0.000	1	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,4|C<3>}	124.3425	0.585	2	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	124.8520	0.000	1	124.5131	1.159	49	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)2{1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H){1|Br<1>,2|H<1>,5|C<3>}	124.7932	0.602	9	124.7669	0.368	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]H){2|H<1>,6|C<3>}	124.6485	0.866	2	124.7669	0.368	11	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|C<3>,1|H<1>,2|N<2>}	124.1320	0.000	1	123.7130	3.776	8	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	124.3340	0.000	1	123.7130	3.776	8	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	123.2854	2.437	5	123.7130	3.776	8	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]H){1|S<4>,3|C<3>}	124.8110	0.000	1	123.7130	3.776	8	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)2{3|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,6|C<3>}	125.5050	0.304	2	125.5050	0.092	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|F<1>,1|H<1>,3|C<3>}	124.5740	0.301	2	124.0721	1.086	23	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	125.2050	0.000	1	124.0721	1.086	23	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	124.6420	0.000	1	124.0721	1.086	23	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	123.9296	1.088	19	124.0721	1.086	23	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	123.3110	0.000	1	123.3110	0.000	1	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)2{2|H<1>,3|C<3>}	123.6353	0.309	6	123.6353	0.096	6	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|C<3>,1|C<4>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	124.1270	0.295	4	124.1270	0.087	4	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,3|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)2{3|C<3>}	122.7090	0.335	2	122.7090	0.112	2	124.2056	1.034	253	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	124.3710	0.000	1	124.3710	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.6140	0.000	1	121.9930	0.287	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	122.3720	0.000	1	121.9930	0.287	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	123.0090	0.000	1	123.0090	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	124.7245	1.637	2	124.7245	2.680	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	125.4540	0.000	1	125.4540	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	122.0237	0.186	3	122.0237	0.035	3	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|H<1>}	123.7050	0.000	1	123.7050	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.8370	0.000	1	121.8370	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	123.9515	0.019	2	123.9515	0.000	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.9600	0.000	1	121.9600	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	124.2990	0.000	1	124.2990	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	123.9475	0.182	2	123.9475	0.033	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	124.1420	0.000	1	124.1420	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	124.0250	0.000	1	124.0250	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	120.9660	0.000	1	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|O<2>}	122.7500	0.000	1	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<2>,1|C<3>}	123.1080	0.000	1	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>}	122.2075	0.694	2	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	122.7453	0.637	15	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	122.9297	0.200	3	122.6612	0.457	23	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.6490	0.000	1	123.6490	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	124.0950	0.000	1	124.0950	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	122.4250	0.864	4	122.2907	0.501	6	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	122.0220	0.214	2	122.2907	0.501	6	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.9803	0.430	7	121.9803	0.185	7	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)2(NHH){1|C<3>}	122.9710	0.000	1	122.9710	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	123.4956	0.280	7	123.4956	0.079	7	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)2(NOO){1|C<3>}	121.2382	0.408	5	121.2382	0.166	5	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	123.4405	1.150	2	123.4405	1.324	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.1205	0.296	2	124.3755	2.157	4	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	125.6305	0.289	2	124.3755	2.157	4	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	122.8510	0.069	2	122.8510	0.005	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	125.0350	0.000	1	125.0350	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|C<4>}	123.1725	1.537	2	123.4038	0.838	112	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.4080	0.912	110	123.4038	0.838	112	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H){1|C<3>,1|H<1>}	124.2810	0.000	1	124.2810	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2){1|C<3>,1|H<1>}	124.0830	1.465	2	124.0830	2.147	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCoC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCoC){1|C<3>,1|H<1>}	123.8135	1.878	8	123.8135	3.526	8	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	120.7147	1.644	6	120.9830	2.757	7	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|N<3>}	122.5930	0.000	1	120.9830	2.757	7	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	123.0058	1.710	8	123.0058	2.924	8	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP){1|C<3>,1|H<1>}	123.2380	0.000	1	123.2380	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NRuC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NRuC){1|C<3>,1|H<1>}	121.7350	0.000	1	121.7350	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	125.4230	0.000	1	125.4230	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	124.4550	0.107	2	124.4550	0.012	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NZnC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NZnC){1|C<3>,1|H<1>}	119.6520	0.000	1	119.6520	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.6145	0.678	4	123.6145	0.459	4	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	124.4620	0.000	1	124.4620	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.9800	0.000	1	121.9800	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	121.8980	0.266	2	121.8980	0.071	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	123.7730	0.000	1	123.7730	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	122.5280	0.000	1	122.5280	0.000	1	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)2(NOO){1|C<3>}	121.4775	0.053	2	121.4775	0.003	2	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	123.6417	0.129	3	123.6417	0.017	3	123.1509	1.445	240	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.5990	0.446	3	123.5990	0.199	3	123.5897	0.133	4	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.5620	0.000	1	123.5620	0.000	1	123.5897	0.133	4	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>}	122.2245	0.487	2	122.2245	0.237	2	122.4803	0.315	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.9920	0.000	1	122.9920	0.000	1	122.4803	0.315	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	124.8570	0.000	1	124.0565	1.282	2	124.0565	1.282	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6]C[6]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	123.2560	0.000	1	124.0565	1.282	2	124.0565	1.282	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2){1|H<1>,2|O<1>,3|C<3>}	123.6565	0.508	2	123.6565	0.258	2	123.6565	0.258	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|O<1>}	122.1075	0.685	2	122.1075	0.469	2	122.1075	0.469	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	123.0590	0.000	1	123.0590	0.000	1	124.0133	1.668	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.4980	0.000	1	123.4980	0.000	1	124.0133	1.668	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	125.4830	0.000	1	125.4830	0.000	1	124.0133	1.668	3	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	127.1080	0.000	1	127.1080	0.000	1	127.1080	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	122.2660	0.000	1	122.2660	0.000	1	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.5510	0.000	2	122.5510	0.000	2	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	122.5080	0.000	1	122.5080	0.000	1	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	122.9730	0.000	1	122.5863	0.139	3	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3930	0.233	2	122.5863	0.139	3	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2{5|C<3>}	122.5470	0.182	2	122.5470	0.033	2	122.5254	0.049	9	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	121.4310	0.000	1	121.4310	0.000	1	121.4310	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]H)(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|Co<6>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]H)(COO){1|C<3>,1|H<1>}	123.0700	0.000	1	123.0700	0.000	1	123.0700	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2{5|C<3>}	121.6225	0.046	2	121.6225	0.002	2	121.6225	0.002	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	124.7920	0.243	2	124.7920	0.059	2	124.7920	0.059	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,3|C<4>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	125.5620	0.000	1	125.5620	0.000	1	125.5620	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C){1|N<3>,1|O<1>}	123.1870	0.000	1	123.1870	0.000	1	123.1870	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH){1|Br<1>,1|C<3>}	124.2180	0.000	1	124.2180	0.000	1	122.6965	4.630	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO){1|C<3>,1|H<1>}	121.1750	0.000	1	121.1750	0.000	1	122.6965	4.630	2	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	123.9590	0.000	1	123.9590	0.000	1	123.9590	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	123.9162	1.667	1495	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	125.0520	0.000	1	125.0520	0.000	1	125.3864	0.049	5	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>}	125.4700	0.137	4	125.4700	0.019	4	125.3864	0.049	5	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH3){1|C<3>,1|H<1>}	124.9390	0.000	1	124.9390	0.000	1	124.9390	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.9250	0.000	1	126.9250	0.000	1	126.9250	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){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[6a]Cl){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>}	125.5430	0.000	1	125.5430	0.000	1	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>}	125.0277	0.466	3	124.9784	0.115	5	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){2|C<3>}	124.9045	0.078	2	124.9784	0.115	5	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	126.7357	0.254	3	126.7357	0.065	3	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)2(CH3){1|C<3>}	125.8025	0.060	2	125.8025	0.004	2	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	126.8220	0.000	1	126.8220	0.000	1	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	127.0030	0.000	1	127.0030	0.000	1	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3){1|C<3>}	124.0515	0.212	4	124.0515	0.045	4	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)2{1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCl3){1|Cl<1>,1|C<3>}	125.1150	0.000	1	125.1150	0.000	1	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	127.8060	0.000	1	127.8060	0.000	1	125.5368	1.372	19	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(SiC3){1|Br<1>,3|C<3>}	128.0630	0.133	2	128.0630	0.018	2	128.0630	0.018	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3){3|C<3>}	127.7640	0.000	1	127.7640	0.000	1	127.7640	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CF3){2|C<3>}	126.6580	0.000	1	126.6580	0.000	1	128.1791	0.878	7	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CCHH){1|C<3>,1|H<1>}	128.6140	0.000	1	128.6140	0.000	1	128.1791	0.878	7	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CH3){1|C<3>,1|H<1>}	129.0280	0.260	2	129.0280	0.068	2	128.1791	0.878	7	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH){1|C<3>,1|H<1>}	128.2240	0.871	2	128.2240	0.759	2	128.1791	0.878	7	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(CC[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(F){1|C<3>,1|F<1>,1|P<4>}	N[6a](C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(CC[5]HH){1|C<3>,1|F<1>}	127.4780	0.000	1	127.4780	0.000	1	128.1791	0.878	7	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO){1|H<1>,1|O<2>,2|C<3>}	124.2100	0.000	1	124.2100	0.000	1	124.2100	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO){1|H<1>,3|C<3>}	125.2710	0.000	1	125.2710	0.000	1	125.0795	0.129	4	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2O){1|H<1>,3|C<3>}	125.3100	0.000	1	125.3100	0.000	1	125.0795	0.129	4	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	124.8685	0.457	2	124.8685	0.209	2	125.0795	0.129	4	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(BO3){1|C<3>,1|H<1>}	125.1625	0.137	4	125.1625	0.019	4	125.1625	0.019	4	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,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|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	125.7820	0.000	1	125.7820	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	124.7180	0.325	5	124.7180	0.106	5	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.3346	1.308	15	124.1190	1.895	18	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.6670	0.000	1	124.1190	1.895	18	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	122.2280	0.352	2	124.1190	1.895	18	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	124.8775	0.627	2	124.8775	0.393	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	124.3960	0.000	1	124.3960	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	124.6047	0.576	4	124.6047	0.332	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	124.4820	0.025	2	124.4820	0.001	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH){1|C<3>,1|H<1>}	125.4210	0.000	1	125.4210	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.2880	0.000	1	124.2880	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	124.2330	0.174	2	123.6560	1.777	13	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	123.5511	1.432	11	123.6560	1.777	13	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>,2|N<3>}	123.8440	0.000	1	123.8440	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	124.3957	0.235	3	124.3957	0.055	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	123.9760	0.000	1	123.3787	1.090	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	123.9870	0.000	1	123.3787	1.090	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	122.1730	0.000	1	123.3787	1.090	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.3155	0.139	2	124.3530	0.014	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.4280	0.000	1	124.3530	0.014	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	124.0980	0.396	2	124.0980	0.157	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	124.5086	0.312	5	124.5086	0.097	5	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	125.4430	0.000	1	125.4430	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	124.8900	0.747	7	124.8979	0.479	8	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	124.9530	0.000	1	124.8979	0.479	8	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){2|C<3>}	124.3660	0.000	1	124.3660	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.3800	0.000	1	124.3655	0.040	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	124.3150	0.328	2	124.3655	0.040	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	124.4520	0.000	1	124.3655	0.040	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){2|C<3>}	124.3790	0.000	1	124.3790	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	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[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	125.3090	0.000	1	125.3090	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	122.1230	0.000	1	122.1230	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|B<3>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	122.7200	0.000	1	122.7200	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH){1|C<3>,1|H<1>}	124.5190	0.000	1	124.5190	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|C<4>}	123.7855	0.104	2	123.7855	0.011	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH){1|C<3>,1|H<1>}	124.2780	0.000	1	124.2780	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCuHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCuHH){1|C<3>,1|H<1>}	125.3880	0.000	1	125.3880	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<3>}	125.1835	0.168	2	124.4892	0.653	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	123.8410	0.000	1	124.4892	0.653	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	123.7490	0.000	1	124.4892	0.653	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	124.0896	1.024	10	124.0896	1.050	10	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	124.2848	0.274	4	124.2848	0.075	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	124.2697	0.479	3	124.2697	0.229	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	124.2584	0.580	25	124.2584	0.337	25	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	124.4841	0.520	12	124.4841	0.270	12	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	124.7975	0.053	2	124.7975	0.003	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|O<2>}	123.7535	0.094	2	123.4467	0.287	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>}	122.8330	0.000	1	123.4467	0.287	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|Br<1>,1|C<3>}	124.5630	0.000	1	125.0095	0.117	13	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	125.2663	0.513	3	125.0095	0.117	13	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.9736	0.242	9	125.0095	0.117	13	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>}	123.1810	0.000	1	123.1810	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.9563	0.702	3	124.9563	0.492	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	121.9820	2.311	3	121.9820	5.342	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.3053	0.529	4	124.3053	0.280	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH){1|C<3>}	123.4840	0.918	4	123.4840	0.843	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(CC[6a]2O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)2(CC[6a]2O){1|C<3>}	122.9585	0.567	4	122.9585	0.321	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH){3|C<3>}	126.4640	0.000	1	126.4640	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(CF3){1|C<3>}	124.2082	0.371	4	124.2082	0.137	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	125.1766	0.658	5	125.1766	0.433	5	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3){1|H<1>,3|C<3>}	124.2695	1.119	2	124.1940	0.189	10	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3){1|C<4>,3|C<3>}	124.1751	0.250	8	124.1940	0.189	10	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|B<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	125.0100	0.000	1	125.0100	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.7942	0.721	18	124.6822	2.398	27	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|O<2>}	123.5760	0.000	1	124.6822	2.398	27	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.5685	2.724	8	124.6822	2.398	27	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrHH){1|C<3>,1|H<1>}	119.6160	0.000	1	119.6160	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH){1|C<3>,1|H<1>}	125.2000	0.000	1	125.2000	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	124.1220	0.822	7	124.1220	0.676	7	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	124.4144	0.309	5	124.4144	0.095	5	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	123.4735	0.108	2	123.4735	0.012	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHP)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHP){1|C<3>,1|H<1>}	124.0440	0.000	1	124.0440	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5,6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5,6]HH){1|C<3>,1|H<1>}	125.4120	0.000	1	125.4120	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]HH){1|C<3>,1|H<1>}	125.1297	0.381	3	125.1297	0.145	3	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2C){1|C<3>,1|H<1>}	125.0700	0.000	1	125.0700	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH){1|C<3>,1|C<4>}	124.0627	0.638	4	124.0627	0.406	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN){1|C<3>,1|C<4>}	124.1090	0.395	2	124.1090	0.156	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]CN){1|C<3>,1|H<1>}	124.2990	0.000	1	124.2990	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){1|C<3>,1|H<1>}	122.4540	0.000	1	122.8870	0.375	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	123.3200	0.000	1	122.8870	0.375	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<2>,1|C<3>}	127.6320	0.000	1	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.0624	1.023	19	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<2>}	124.4627	0.146	3	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<3>}	123.6905	0.825	2	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	123.5202	1.261	26	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	124.9520	0.000	1	123.8858	1.562	52	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	124.1995	1.308	69	124.2132	1.637	73	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|C<4>}	124.4497	0.673	4	124.2132	1.637	73	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	124.2961	0.453	18	124.2961	0.206	18	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	121.0100	2.840	6	121.0100	8.065	6	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNOV)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNOV){1|C<3>,1|H<1>}	123.5640	0.000	1	123.5640	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	124.4635	0.091	2	124.4635	0.008	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	124.1106	0.720	17	124.1106	0.518	17	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	125.6000	1.468	2	124.8635	1.515	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|C<4>}	124.4590	0.000	1	124.8635	1.515	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){2|C<3>}	123.7950	0.000	1	124.8635	1.515	4	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNiOO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CNiOO){1|C<3>,1|H<1>}	123.3500	0.000	1	123.3500	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COOU)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(COOU){1|C<3>,1|H<1>}	123.0985	0.271	2	123.0985	0.073	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSnOO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSnOO){1|C<3>,1|H<1>}	122.5800	0.127	2	122.5800	0.016	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	125.6280	0.000	1	125.6280	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3){1|H<1>,3|C<3>}	125.2910	0.057	2	125.2910	0.003	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]H)(CHHP)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Ru<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]H)(CHHP){1|C<3>,1|C<4>}	124.0680	0.157	2	124.0680	0.025	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	125.2380	0.000	1	125.2380	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|H<1>}	122.9330	0.000	1	123.0835	0.045	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|Cl<1>,1|C<3>}	123.2340	0.000	1	123.0835	0.045	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CF3){1|C<3>,1|F<1>}	122.4690	0.000	1	122.4690	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(CCHH){1|C<3>}	124.9940	0.000	1	124.9940	0.000	1	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	124.6525	0.252	2	124.6525	0.064	2	124.1789	1.408	452	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[3]C[3]2H){1|O<2>,2|C<3>,3|H<1>}	123.9385	0.284	2	123.9385	0.080	2	123.9385	0.080	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)2(C[4]C[4]2H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|N<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)2(C[4]C[4]2H){1|C<4>,2|H<1>,3|C<3>}	123.3800	0.288	2	123.3800	0.083	2	124.2216	0.540	9	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){1|C<4>,3|C<3>,3|H<1>}	125.0160	0.471	3	124.4620	0.403	7	124.2216	0.540	9	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[4]C[4]2H){2|C<4>,2|H<1>,3|C<3>}	124.0465	0.347	4	124.4620	0.403	7	124.2216	0.540	9	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.3290	0.000	1	124.3290	0.000	1	124.3290	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H){1|H<1>,2|C<2>,3|C<3>}	124.2550	0.000	1	124.2550	0.000	1	124.1245	0.034	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|O<2>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,2|C<4>}	123.9940	0.000	1	123.9940	0.000	1	124.1245	0.034	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	122.4180	0.000	1	122.4180	0.000	1	121.5067	1.273	3	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	121.8570	0.000	1	121.8570	0.000	1	121.5067	1.273	3	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NH3){1|C<3>,1|H<1>}	120.2450	0.000	1	120.2450	0.000	1	121.5067	1.273	3	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(PO3)	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(PO3){1|C<3>,1|H<1>}	123.9310	0.000	1	123.9310	0.000	1	123.6383	0.203	3	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(PC[6a]2Rh)	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(PC[6a]2Rh){1|C<3>,1|H<1>}	123.4920	0.526	2	123.4920	0.277	2	123.6383	0.203	3	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SO3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	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[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SO3){1|C<3>,1|H<1>}	124.4250	0.000	1	124.4250	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO){1|C<3>,1|H<1>}	122.3150	0.000	1	122.3150	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SN[6]OO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SN[6]OO){1|C<3>,1|H<1>}	123.1330	0.000	1	123.1330	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SC[6a]OO){1|C<3>,1|H<1>}	123.8140	0.393	2	123.8140	0.155	2	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(SO3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(SO3){1|C<3>,1|H<1>}	124.0130	0.000	1	124.0130	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SCOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SCOO){2|C<3>}	123.0920	0.000	1	123.0920	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO){1|C<3>,1|H<1>}	122.4450	0.000	1	122.5335	0.016	2	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SNOO){2|C<3>}	122.6220	0.000	1	122.5335	0.016	2	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SN[5a]OO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SN[5a]OO){1|C<3>,1|H<1>}	122.9680	0.000	1	122.9680	0.000	1	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SO3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SO3){1|C<3>,1|H<1>}	124.3340	0.198	2	124.3340	0.039	2	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO){1|C<3>,1|H<1>}	124.5247	0.570	4	124.5247	0.325	4	123.7130	0.748	16	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]CC)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]CC){1|C<3>,1|H<1>}	124.1970	0.000	1	124.1970	0.000	1	125.0590	0.282	6	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]CC)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]CC){1|C<3>,1|H<1>}	124.6800	0.000	1	124.6800	0.000	1	125.0590	0.282	6	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]3)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(SiC[6a]3){1|C<3>,1|H<1>}	125.3692	0.213	4	125.3692	0.045	4	125.0590	0.282	6	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	124.1130	0.000	1	124.1130	0.000	1	124.1130	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H){1|C<4>,2|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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	125.7300	0.076	2	125.7300	0.006	2	125.7300	0.006	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|N<3>,1|O<1>}	124.1540	0.000	1	124.1540	0.000	1	124.1260	0.002	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|N<3>,1|O<1>}	124.0980	0.000	1	124.0980	0.000	1	124.1260	0.002	2	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I)	N[6a](C[6a]C[6a]I)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]I)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3){1|C<3>,1|C<4>}	124.9340	0.000	1	124.9340	0.000	1	124.9340	0.000	1	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH){1|C<3>,1|H<1>}	120.0800	0.000	1	120.0800	0.000	1	120.1328	0.266	5	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	120.3873	0.425	3	120.3873	0.180	3	120.1328	0.266	5	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	119.4220	0.000	1	119.4220	0.000	1	120.1328	0.266	5	124.2818	1.845	552	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]H)(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	126.7020	0.000	1	126.7020	0.000	1	126.1940	0.181	4	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	126.1930	0.170	2	126.0247	0.099	3	126.1940	0.181	4	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[3])(N[6a]C[6a,6a])(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]O[3]H)(C[6a]N[6a]Cl){1|C<2>,3|C<3>}	125.6880	0.000	1	126.0247	0.099	3	126.1940	0.181	4	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(Cl){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5]H)(C[6a]N[6a]Cl){1|C<4>,4|C<3>}	126.7670	0.000	1	126.7670	0.000	1	126.7670	0.000	1	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl){3|H<1>,4|C<3>}	126.0990	0.000	1	126.0990	0.000	1	126.0990	0.000	1	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5])(C[5]C[5]2Co)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Co<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N[5])(C[5]C[5]2Co)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	125.9040	0.000	1	125.9040	0.000	1	125.9040	0.000	1	126.1095	0.236	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|N<2>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	124.1490	0.000	1	124.1490	0.000	1	124.1490	0.000	1	122.5522	0.793	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	122.1955	1.034	4	122.1955	1.069	4	122.1955	1.069	4	122.5522	0.793	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	122.4835	0.012	2	122.4835	0.000	2	122.5097	0.025	4	122.5522	0.793	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	122.7240	0.000	1	122.5360	0.071	2	122.5097	0.025	4	122.5522	0.793	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	122.3480	0.000	1	122.5360	0.071	2	122.5097	0.025	4	122.5522	0.793	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl){1|H<1>,5|C<3>}	126.5720	0.000	1	126.5720	0.000	1	126.5720	0.000	1	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	126.7220	0.000	1	126.7220	0.000	1	126.3693	0.115	3	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	126.1930	0.209	2	126.1930	0.044	2	126.3693	0.115	3	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	127.5510	0.000	1	127.5510	0.000	1	127.5510	0.000	1	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	B[5a]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]B[5a]C[6a])(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](C[6a]B[5a]C[6a])(N[6a]C[6a])(F){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>}	C[6a](B[5a]N[5a,6]C[6a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]F){1|H<1>,6|C<3>}	129.4098	0.655	15	129.4098	0.429	15	129.4098	0.429	15	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(F){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	128.3120	0.000	2	128.3120	0.000	2	128.3120	0.000	2	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	B[5,5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]B[5,5]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	N[6a](C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|H<1>}	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>,3|C<4>}	126.5260	0.000	1	126.5260	0.000	1	126.5260	0.000	1	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	123.4180	0.257	2	123.4180	0.066	2	124.0397	1.193	3	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	125.2830	0.000	1	125.2830	0.000	1	124.0397	1.193	3	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[4])(N[6a]C[6a])(H){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[4]C[4,6]C[4]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5,6]C[6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	125.1120	0.000	1	125.1120	0.000	1	125.1120	0.000	1	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,4|H<1>}	123.2730	0.000	1	123.2730	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	125.0030	0.000	1	125.0030	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2330	0.000	1	123.2330	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	124.7965	0.735	2	124.7965	0.540	2	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.4400	0.000	1	123.4400	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	124.7915	1.494	2	124.6047	1.221	3	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.2310	0.000	1	124.6047	1.221	3	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	124.2600	0.000	1	124.2600	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	123.2985	0.671	15	123.2985	0.450	15	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.4060	0.000	1	124.4060	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	124.9020	0.000	1	124.9020	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	124.1790	0.000	1	124.1790	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	125.0910	0.000	1	125.0910	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[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[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.0320	0.000	1	125.0320	0.000	1	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|C<4>,3|H<1>}	124.5045	0.332	4	123.8990	0.946	6	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.6880	0.038	2	123.8990	0.946	6	123.8638	0.826	36	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,4|C<4>}	124.4075	0.400	6	124.4075	0.160	6	124.4075	0.160	6	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,3|C<3>,3|H<1>}	125.0345	0.104	2	125.0345	0.011	2	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	124.0140	0.000	1	124.0140	0.000	1	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	124.9530	0.000	1	124.9530	0.000	1	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	125.1680	0.000	1	125.1680	0.000	1	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,4|H<1>}	124.4440	0.000	1	123.9860	0.420	2	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	123.5280	0.000	1	123.9860	0.420	2	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	123.9760	0.000	1	123.9760	0.000	1	124.5190	0.384	8	125.4024	5.353	78	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:1:	3:3:	6:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)2	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	N[6a](C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|H<1>}	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,5|B<6>,6|H<1>}	123.6850	0.000	1	123.6850	0.000	1	123.6850	0.000	1	123.6850	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	2:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<2>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	116.9180	0.000	1	116.9180	0.000	1	116.9180	0.000	1	116.9180	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	122.1985	0.114	2	122.1985	0.013	2	122.1985	0.013	2	122.1985	0.013	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|N<2>}	122.2237	0.169	4	122.2988	0.050	5	122.2988	0.050	5	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<4>,1|N<2>}	122.5990	0.000	1	122.2988	0.050	5	122.2988	0.050	5	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:Cl-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>}	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,1|N<2>}	123.8257	0.277	4	123.7153	0.215	7	124.0557	0.627	9	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,1|O<2>}	123.5680	0.687	3	123.7153	0.215	7	124.0557	0.627	9	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<2>,1|O<2>}	125.2470	0.283	2	125.2470	0.080	2	124.0557	0.627	9	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|N<2>,1|S<2>}	123.9655	0.100	2	123.9655	0.010	2	123.8883	0.023	3	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<4>,1|N<2>}	123.7340	0.000	1	123.7340	0.000	1	123.8883	0.023	3	123.3568	1.419	19	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2)	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|B<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	123.9815	0.127	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|N<2>}	123.8650	0.000	1	123.8650	0.000	1	123.9260	0.007	2	123.9815	0.127	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	123.9870	0.000	1	123.9870	0.000	1	123.9260	0.007	2	123.9815	0.127	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|S<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]S){1|N<2>,1|S<3>,2|C<3>,2|H<1>}	123.7953	0.186	3	123.7953	0.035	3	123.7953	0.035	3	123.9815	0.127	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	123.2190	1.215	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	123.8060	0.602	2	123.8060	0.363	2	123.8060	0.363	2	123.2190	1.215	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	120.7230	1.775	2	121.1424	0.987	5	121.6554	1.930	24	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.4220	0.325	3	121.1424	0.987	5	121.6554	1.930	24	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.5171	1.442	16	121.5171	2.080	16	121.6554	1.930	24	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.2480	0.079	3	123.2480	0.006	3	121.6554	1.930	24	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.4585	0.056	4	121.4585	0.003	4	121.2438	0.233	5	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	120.3850	0.000	1	120.3850	0.000	1	121.2438	0.233	5	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	121.5162	0.264	5	121.5162	0.070	5	121.5162	0.070	5	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.8550	0.000	1	121.8550	0.000	1	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.6053	0.555	10	121.6053	0.308	10	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.7190	0.227	3	123.7190	0.052	3	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.5750	0.000	1	123.5750	0.000	1	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.9557	0.264	7	122.9557	0.070	7	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.2420	0.160	4	123.2420	0.026	4	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.1286	0.466	65	123.1286	0.217	65	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.1645	0.131	2	123.1645	0.017	2	122.9676	0.448	93	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.9395	0.480	2	121.9395	0.231	2	121.8504	0.211	7	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.6770	0.000	1	121.6770	0.000	1	121.8504	0.211	7	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.8492	0.574	4	121.8492	0.329	4	121.8504	0.211	7	122.4725	1.383	137	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|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[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	121.1527	0.473	4	121.0860	0.150	6	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|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[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	120.9525	0.155	2	121.0860	0.150	6	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	121.5686	0.307	8	121.5158	0.253	18	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	121.4735	0.632	10	121.5158	0.253	18	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	122.1580	0.000	1	122.1580	0.000	1	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	122.0210	0.104	7	122.0210	0.011	7	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	122.5311	1.191	20	122.4386	1.223	24	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	121.9758	0.216	4	122.4386	1.223	24	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|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[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	120.8220	0.501	2	120.8220	0.251	2	121.9013	0.870	58	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	122.1630	0.000	1	122.1630	0.000	1	122.1630	0.000	1	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	119.6310	0.000	1	119.6310	0.000	1	120.4515	1.346	2	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	121.2720	0.000	1	121.2720	0.000	1	120.4515	1.346	2	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	117.4170	0.000	1	117.4170	0.000	1	116.9124	0.396	14	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	116.7870	0.000	1	116.7870	0.000	1	116.9124	0.396	14	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	116.8807	0.665	12	116.8807	0.442	12	116.9124	0.396	14	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	122.2460	0.000	1	122.2305	0.000	2	122.2305	0.000	2	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	122.2150	0.000	1	122.2305	0.000	2	122.2305	0.000	2	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	121.6070	0.000	1	121.6070	0.000	1	121.6145	0.059	6	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	121.4130	0.000	1	121.4130	0.000	1	121.6145	0.059	6	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	121.7140	0.000	1	121.7140	0.000	1	121.6145	0.059	6	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	122.0510	0.000	1	122.0510	0.000	1	121.6145	0.059	6	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	121.4510	0.048	2	121.4510	0.002	2	121.6145	0.059	6	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|N<2>,2|C<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	120.9910	0.000	1	120.9910	0.000	1	120.9910	0.000	1	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6]){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6]){1|C<2>,1|C<3>}	121.7910	1.066	2	121.7910	1.137	2	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a]){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a]){1|C<2>,1|C<3>}	121.2980	0.302	5	121.2980	0.091	5	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe){1|C<3>,1|H<1>}	121.3570	0.260	4	121.3570	0.067	4	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SIr){1|C<3>,1|H<1>}	121.7097	0.455	4	121.7097	0.207	4	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SMo){1|C<3>,1|H<1>}	121.2867	0.138	3	121.2867	0.019	3	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SNi){1|C<3>,1|H<1>}	121.2612	1.195	12	121.2612	1.427	12	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPd){1|C<3>,1|H<1>}	121.4855	0.268	2	121.4855	0.072	2	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SPt){1|C<3>,1|H<1>}	121.8475	0.883	2	121.8475	0.780	2	121.4117	0.617	34	121.1293	3.152	118	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	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>}	122.5095	0.093	2	122.5095	0.009	2	122.4620	0.017	4	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	122.2880	0.000	1	122.2880	0.000	1	122.4620	0.017	4	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	122.5410	0.000	1	122.5410	0.000	1	122.4620	0.017	4	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	123.4371	0.802	9	123.4371	0.643	9	123.4371	0.643	9	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	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>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	123.0090	0.124	2	123.0090	0.015	2	123.0090	0.015	2	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	123.0200	0.000	1	123.0200	0.000	1	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	123.0260	0.000	1	123.0260	0.000	1	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	123.3125	0.770	2	123.3125	0.593	2	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	122.2855	0.084	2	122.2855	0.007	2	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	122.7250	0.201	2	122.7250	0.040	2	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	121.9460	0.000	1	121.9470	0.000	2	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	121.9480	0.000	1	121.9470	0.000	2	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	121.3190	0.000	1	121.3190	0.000	1	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	123.9440	0.000	1	123.9440	0.000	1	122.6541	0.592	12	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	122.8470	0.000	1	122.8470	0.000	1	122.8470	0.000	1	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2){1|C<3>,1|H<1>}	120.7520	1.178	2	120.7520	1.388	2	120.7520	1.388	2	122.8371	1.018	31	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	123.4500	0.000	1	123.4500	0.000	1	123.4500	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1154	0.350	9	123.1154	0.123	9	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	122.0540	0.000	1	122.5772	0.554	36	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.5840	0.000	1	122.5772	0.554	36	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5845	0.795	31	122.5772	0.554	36	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.6733	0.257	3	122.5772	0.554	36	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9350	0.410	2	122.9350	0.168	2	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	122.3780	0.069	2	122.7862	0.224	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	123.1945	0.043	2	122.7862	0.224	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.9650	0.086	2	120.9650	0.007	2	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2160	0.638	4	123.2160	0.407	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9076	0.735	52	122.8845	0.493	60	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6040	0.602	4	122.8845	0.493	60	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8642	0.171	4	122.8845	0.493	60	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0617	0.558	7	124.0617	0.311	7	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.3700	0.440	2	124.7997	0.175	6	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.8845	0.221	2	124.7997	0.175	6	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	125.1445	0.105	2	124.7997	0.175	6	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.7285	0.165	2	124.7285	0.027	2	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	125.1180	0.000	1	125.1180	0.000	1	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	124.0340	0.000	1	124.7410	0.780	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	123.9200	0.000	1	124.7410	0.780	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	125.5050	0.000	2	124.7410	0.780	4	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2355	0.148	4	124.4832	0.162	6	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.9785	0.097	2	124.4832	0.162	6	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.4360	0.000	1	124.4360	0.000	1	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0552	0.758	5	122.0552	0.574	5	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0410	0.000	1	124.0410	0.000	1	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CW){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1465	0.644	2	121.1465	0.415	2	123.0553	1.015	152	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	121.7410	0.000	1	121.7410	0.000	1	120.3818	1.632	5	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|H<1>}	119.9005	0.364	2	119.9005	0.133	2	120.3818	1.632	5	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	118.7680	0.000	1	118.7680	0.000	1	120.3818	1.632	5	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|C<3>,1|C<4>}	121.5990	0.000	1	121.5990	0.000	1	120.3818	1.632	5	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	118.9380	0.683	2	118.9380	0.467	2	118.9380	0.467	2	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5434	0.774	10	122.6087	0.587	11	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2620	0.000	1	122.6087	0.587	11	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|C<7>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N){1|C<3>,2|H<2>,6|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.0850	0.000	1	122.0850	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2670	0.320	3	123.2670	0.103	3	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	121.9053	0.344	3	122.4083	0.278	27	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.7920	0.232	3	122.4083	0.278	27	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|O<2>}	122.1373	0.366	3	122.4083	0.278	27	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.4733	0.549	18	122.4083	0.278	27	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	122.2030	0.000	1	122.2030	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	120.8480	0.000	1	120.8480	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	120.5020	0.000	1	120.5020	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	122.2810	0.000	1	122.2810	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.4860	0.636	2	122.4048	0.108	9	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3816	0.272	7	122.4048	0.108	9	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.4150	0.000	1	123.4150	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	120.5393	1.640	3	120.5393	2.689	3	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.8635	0.489	11	122.8635	0.239	11	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.1850	0.160	2	122.1850	0.026	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	120.9155	0.466	2	120.9155	0.217	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2435	0.524	2	123.2435	0.275	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a])	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.6155	0.436	4	123.6155	0.190	4	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9642	0.850	5	122.9642	0.723	5	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.5896	1.446	5	121.5698	1.674	6	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	121.4710	0.000	1	121.5698	1.674	6	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	120.9830	0.000	1	120.9830	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.9850	0.000	1	121.9850	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	118.2335	0.120	2	118.2335	0.014	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.7190	0.000	1	123.6627	0.078	3	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	123.9090	0.000	1	123.6627	0.078	3	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3600	0.000	1	123.6627	0.078	3	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	125.2860	0.000	1	125.2860	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.5120	0.000	1	123.8505	0.875	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	123.1890	0.000	1	123.8505	0.875	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.5521	0.954	8	123.5334	0.715	10	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	123.3010	0.000	1	123.5334	0.715	10	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.6160	0.000	1	123.5334	0.715	10	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	120.3410	1.055	2	120.3410	1.113	2	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	120.3480	0.000	1	120.3480	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	120.7970	0.000	1	120.7970	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	120.7180	0.000	1	120.7180	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	120.3900	0.000	1	120.3900	0.000	1	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	122.6820	0.407	2	121.0098	6.372	6	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	119.0997	2.175	3	121.0098	6.372	6	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	123.3960	0.000	1	121.0098	6.372	6	122.3475	1.766	123	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|N<3>,3|C<3>}	124.3495	0.183	2	124.3495	0.034	2	124.4417	0.042	3	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){3|C<3>}	124.6260	0.000	1	124.6260	0.000	1	124.4417	0.042	3	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){4|C<3>}	123.9980	0.000	1	124.0220	0.001	2	124.1323	0.037	3	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	124.0460	0.000	1	124.0220	0.001	2	124.1323	0.037	3	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	124.3530	0.000	1	124.3530	0.000	1	124.1323	0.037	3	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]O)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]O)2(Br){1|C<3>}	122.3200	0.146	4	122.3200	0.021	4	122.4670	0.186	6	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	122.7610	0.778	2	122.7610	0.605	2	122.4670	0.186	6	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	122.4360	0.059	2	122.4360	0.004	2	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	123.5030	0.000	1	123.5030	0.000	1	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]O)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]O)2(Cl){1|C<3>}	122.1268	0.271	4	122.1268	0.074	4	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|C<3>,1|C<4>}	123.6910	0.000	1	123.3370	0.251	2	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	122.9830	0.000	1	123.3370	0.251	2	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	122.2950	0.156	3	122.2950	0.024	3	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	124.1370	0.000	1	124.1370	0.000	1	122.6598	0.498	13	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(F){1|C<3>,1|F<1>}	122.0008	0.453	6	122.0008	0.205	6	121.9447	0.159	8	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(F){1|Cl<1>,1|C<3>}	121.7765	0.117	2	121.7765	0.014	2	121.9447	0.159	8	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.2280	0.082	2	124.2280	0.007	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.1310	0.207	3	123.1310	0.043	3	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.4800	0.000	1	124.4800	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	124.8240	0.334	2	124.8240	0.111	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	123.5290	0.000	1	124.3483	0.212	7	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.7005	0.494	2	124.3483	0.212	7	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.3770	0.185	4	124.3483	0.212	7	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	123.9920	0.344	2	123.9920	0.118	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	123.5070	0.000	1	123.9208	0.110	16	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	123.8405	0.221	4	123.9208	0.110	16	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.9575	0.263	4	123.9208	0.110	16	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	124.0620	0.000	1	123.9208	0.110	16	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.9953	0.455	6	123.9208	0.110	16	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H){2|C<3>}	125.1770	0.000	1	125.1770	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	126.2887	0.644	3	126.2887	0.415	3	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	124.0677	0.299	3	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	123.7610	0.375	2	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<4>}	124.2620	0.000	1	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	125.2897	1.135	6	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){2|C<3>}	124.0700	0.391	10	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Si<4>,1|C<3>}	124.3115	0.176	4	124.3720	0.610	26	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.6740	0.000	1	124.6740	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.4730	0.556	2	123.4730	0.309	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.3220	0.127	2	123.3220	0.016	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	123.6290	0.000	1	123.6290	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.3120	0.000	1	123.3120	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	123.7520	0.000	1	123.7520	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	123.6950	0.000	1	123.6950	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H){3|C<3>}	124.0930	0.000	1	124.0930	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	123.3588	1.334	5	123.3588	1.780	5	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.1208	1.183	4	123.1208	1.400	4	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	125.3570	0.011	2	125.3570	0.000	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.6896	0.871	86	123.7346	0.836	88	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	125.6695	0.781	2	123.7346	0.836	88	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	124.6370	0.351	3	124.6370	0.123	3	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.3080	0.601	24	123.3080	0.361	24	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	122.8230	0.000	1	122.8230	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	124.2725	0.046	2	124.2357	0.005	3	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	124.1620	0.000	1	124.2357	0.005	3	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.9935	0.793	8	123.5883	0.789	12	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	122.7777	0.335	4	123.5883	0.789	12	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){2|C<3>}	123.3490	0.075	4	123.3490	0.006	4	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)(H){2|C<3>}	124.6787	0.332	10	124.6787	0.111	10	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	123.5230	1.146	2	123.8668	0.595	6	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]O)(H){2|C<3>}	124.0388	0.660	4	123.8668	0.595	6	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Sn<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.7040	0.000	1	123.7040	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.3723	0.542	4	123.3723	0.293	4	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	122.6840	0.000	1	122.6840	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	123.5730	0.120	2	123.5730	0.014	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.1837	0.335	6	124.1837	0.112	6	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	125.6010	0.000	1	125.4815	0.029	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	125.3620	0.000	1	125.4815	0.029	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	125.2090	0.000	1	125.2090	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	125.1090	0.000	1	125.1090	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	124.4860	0.000	1	124.9686	0.145	14	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|N<3>}	124.8552	0.383	4	124.9686	0.145	14	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	125.0726	0.365	9	124.9686	0.145	14	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	124.0575	0.389	10	124.0575	0.152	10	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	123.5904	0.476	18	123.5904	0.227	18	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	124.0940	0.000	1	124.0940	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>}	123.1916	0.640	5	123.1916	0.410	5	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	124.3416	0.331	8	124.3416	0.109	8	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.8222	0.317	4	123.8222	0.100	4	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|O<2>}	122.1468	0.269	6	122.3011	0.227	7	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.2270	0.000	1	122.3011	0.227	7	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	122.6520	0.000	2	122.6520	0.000	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|Fe<10>,1|C<3>,2|C<4>}	122.7360	0.000	1	122.7360	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	123.4090	0.000	1	123.4090	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>}	121.1745	0.524	2	121.1745	0.275	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMg)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMg){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	119.4750	0.000	1	119.4750	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMn)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OMn){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	119.6890	0.000	1	119.6890	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(H){1|C<3>}	123.2465	0.197	2	123.2465	0.039	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	127.0340	0.000	1	127.0340	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.8330	0.000	1	123.8330	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	126.1020	0.477	2	126.1020	0.227	2	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	126.2652	0.164	4	126.2652	0.027	4	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.8860	1.041	339	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	124.2120	0.000	1	124.2120	0.000	1	123.9160	0.356	4	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	124.5920	0.000	1	124.5920	0.000	1	123.9160	0.356	4	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	123.2720	0.000	1	123.2720	0.000	1	123.9160	0.356	4	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|N<3>,1|O<1>}	123.5880	0.000	1	123.5880	0.000	1	123.9160	0.356	4	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|C<4>,1|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[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H){1|C<3>,2|C<4>,2|H<1>}	124.1530	0.000	1	124.1530	0.000	1	124.1530	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(Br){1|C<3>}	121.4052	0.106	4	121.4052	0.011	4	121.4052	0.011	4	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAg)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAg){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	121.4460	0.000	1	121.4460	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	122.9308	0.463	4	122.9308	0.214	4	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H){4|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.7210	0.000	1	123.7210	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	122.9940	0.267	2	122.9940	0.071	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	123.4930	0.000	1	123.4930	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	123.5160	0.000	1	123.2954	0.977	29	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.2875	1.006	28	123.2954	0.977	29	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]S)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)2(H){1|C<3>}	122.1995	0.730	2	122.1995	0.534	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)(H){3|C<3>}	122.3990	0.000	1	122.3990	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]S)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)2(H){1|C<3>}	122.6645	0.572	2	122.6645	0.327	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]S)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H){1|C<2>,3|C<3>}	123.7890	0.000	1	123.7890	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.2150	0.348	2	124.2150	0.121	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.0880	0.000	1	123.0880	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.0935	0.042	2	124.0935	0.002	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.4410	0.000	1	123.4410	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	123.3570	0.000	1	123.3570	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]S)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)2(H){1|C<3>}	123.8817	0.318	6	123.8817	0.101	6	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]S)(H){1|C<3>}	122.0550	0.000	1	122.0550	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]S)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)2(H){1|C<3>}	123.4910	0.020	2	123.4910	0.000	2	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	120.3630	0.000	1	120.3630	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	117.6315	3.288	4	117.6315	10.814	4	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	119.9050	0.000	1	119.9050	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	121.1930	0.797	5	121.1930	0.635	5	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	121.1025	0.112	2	121.1169	0.440	15	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPt){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	121.1191	0.716	13	121.1169	0.440	15	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.2237	0.692	3	123.2237	0.479	3	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.3153	0.157	4	124.3153	0.025	4	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.6480	0.000	1	123.6480	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|N<3>}	123.6590	0.630	7	123.5111	0.401	10	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.1660	0.600	3	123.5111	0.401	10	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SSn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SSn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.6498	2.803	106	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I){1|H<1>,3|C<3>}	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>}	118.9250	3.297	2	118.9250	10.867	2	118.9250	10.867	2	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	125.7630	0.420	2	125.7630	0.176	2	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>}	123.0725	0.243	2	123.6967	0.540	4	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	124.3210	0.051	2	123.6967	0.540	4	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	123.6290	0.021	2	123.6290	0.000	2	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	125.1790	0.252	2	125.1790	0.063	2	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	121.1165	0.621	4	121.1165	0.385	4	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	123.7493	0.808	4	123.7566	0.490	5	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	123.7860	0.000	1	123.7566	0.490	5	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeCu)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeCu){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	116.5540	0.000	1	116.5540	0.000	1	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>}	124.3285	0.193	2	124.3285	0.037	2	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	124.4063	0.820	3	124.4063	0.673	3	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	125.8950	0.677	2	125.8950	0.459	2	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSn)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	121.3670	0.000	1	121.3670	0.000	1	123.5273	4.223	28	123.2057	2.000	804	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC){1|C<3>,1|H<1>}	122.5325	0.087	2	122.5325	0.008	2	123.0940	0.950	3	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	124.2170	0.000	1	124.2170	0.000	1	123.0940	0.950	3	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	122.5370	0.000	1	122.5370	0.000	1	123.0025	0.433	2	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	123.4680	0.000	1	123.4680	0.000	1	123.0025	0.433	2	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	120.3400	0.000	1	120.3400	0.000	1	119.6285	1.012	2	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH){1|C<3>,1|H<1>}	118.9170	0.000	1	118.9170	0.000	1	119.6285	1.012	2	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|N<3>}	121.2910	0.000	1	121.2910	0.000	1	121.4257	0.053	3	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[5]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	121.6920	0.000	1	121.6920	0.000	1	121.4257	0.053	3	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	121.2940	0.000	1	121.2940	0.000	1	121.4257	0.053	3	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CN){1|C<4>,1|H<1>,2|C<3>}	124.9250	0.000	1	124.9250	0.000	1	124.9250	0.000	1	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<2>,3|C<3>}	123.8840	0.000	1	123.8840	0.000	1	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	124.1013	0.223	3	124.2261	0.238	13	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	124.2635	0.548	10	124.2261	0.238	13	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	123.9550	0.275	4	123.9550	0.076	4	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CN){1|C<4>,3|C<3>}	123.2740	0.156	3	123.2740	0.024	3	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	124.0690	0.000	1	124.0690	0.000	1	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	124.0720	1.195	2	124.0720	1.428	2	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	123.2700	0.000	1	123.2700	0.000	1	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN){2|C<3>}	125.1720	0.000	1	125.1720	0.000	1	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN){1|C<2>,1|C<3>}	123.8581	0.327	10	123.8581	0.107	10	123.9917	0.283	36	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]){1|C<3>}	124.3640	0.000	1	124.3640	0.000	1	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	124.5000	0.103	2	124.5000	0.011	2	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	124.0669	0.383	16	124.0669	0.147	16	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	123.8180	0.000	1	123.8180	0.000	1	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]O)2(NO){1|C<3>}	123.7722	0.693	12	123.7722	0.480	12	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	123.6480	0.000	1	123.6480	0.000	1	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	123.8140	0.272	2	123.8140	0.074	2	123.9656	0.267	35	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	123.3210	0.000	1	123.3210	0.000	1	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	122.6810	0.000	1	122.6810	0.000	1	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	122.5945	0.108	2	122.5945	0.012	2	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	123.0780	0.000	1	123.0780	0.000	1	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	124.9390	0.693	2	124.9390	0.480	2	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OC){1|C<3>,1|H<1>}	124.8220	0.000	1	124.8220	0.000	1	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)2(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	122.3790	0.042	2	122.3790	0.002	2	123.3727	1.251	10	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN){1|C<3>,2|C<4>,2|H<1>}	122.0637	0.288	4	122.0637	0.083	4	122.4520	0.816	5	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)(CN){1|C<4>,1|H<1>,2|C<3>}	124.0050	0.000	1	124.0050	0.000	1	122.4520	0.816	5	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){4|C<3>}	122.5810	0.065	2	122.5810	0.004	2	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	122.9398	0.457	8	122.9398	0.209	8	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){2|C<3>}	123.0410	0.000	1	123.0410	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	123.5613	0.497	3	123.5613	0.247	3	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|C<4>}	121.4890	0.000	1	121.4890	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<2>}	123.8943	0.478	3	123.8820	0.153	4	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CN){1|C<3>,1|N<3>}	123.8450	0.000	1	123.8820	0.153	4	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]S)2{1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	123.2300	0.000	1	123.2300	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	123.3890	0.000	1	123.3890	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<4>,3|C<3>}	121.7780	0.000	1	121.7780	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	123.1670	0.000	1	123.1670	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|H<1>,3|C<3>}	123.3010	0.000	1	123.3010	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(CN){1|C<2>,3|C<3>}	123.6480	0.000	1	123.6480	0.000	1	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN){1|C<3>}	121.5740	0.089	3	121.5740	0.008	3	122.9520	0.645	28	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(OC){1|C<3>,1|H<1>}	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(SPd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(SPd)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(SPd){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(SPd){1|C<3>,1|H<1>}	122.5820	0.000	1	122.5820	0.000	1	122.5820	0.000	1	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN){1|C<2>,3|C<3>}	124.4360	0.000	1	124.4360	0.000	1	124.4360	0.000	1	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a]){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	123.3115	0.326	2	123.3115	0.106	2	122.5403	1.302	6	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	122.1548	1.241	4	122.1548	1.539	4	122.5403	1.302	6	123.4010	1.193	135	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN){1|C<4>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]C){2|C<4>,3|C<3>,4|H<1>}	125.6480	0.000	1	125.6480	0.000	1	125.6480	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	123.6540	0.000	1	123.6540	0.000	1	124.7400	2.359	2	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN){5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	125.8260	0.000	1	125.8260	0.000	1	124.7400	2.359	2	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C){2|H<1>,4|C<3>}	126.1880	0.000	1	126.4345	0.122	2	125.1947	0.966	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C){2|H<1>,4|C<3>}	126.6810	0.000	1	126.4345	0.122	2	125.1947	0.966	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,3|C<3>}	124.5747	0.180	4	124.5747	0.032	4	125.1947	0.966	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	121.1630	0.000	1	121.1630	0.000	1	121.6685	0.203	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	122.0410	0.000	1	122.0410	0.000	1	121.6685	0.203	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]N)2(COO){1|C<3>}	122.2860	0.000	1	122.2860	0.000	1	121.6685	0.203	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	121.8300	0.000	1	121.8300	0.000	1	121.6685	0.203	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	121.3455	0.069	2	121.3455	0.005	2	121.6685	0.203	6	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){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[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	125.0135	0.245	2	125.0135	0.060	2	125.0135	0.060	2	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){2|N<3>,4|C<3>}	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	125.7485	0.255	2	125.7485	0.065	2	125.7485	0.065	2	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	122.7960	0.000	1	122.7960	0.000	1	123.8883	0.936	14	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O){1|H<1>,3|C<3>}	122.5030	0.652	3	122.5030	0.426	3	123.8883	0.936	14	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.4131	0.422	10	124.4131	0.178	10	123.8883	0.936	14	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,5|C<3>}	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(BOO){1|C<3>,1|H<1>}	125.2200	0.054	2	125.2200	0.003	2	125.2200	0.003	2	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	124.3250	0.000	1	124.3250	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	123.9500	0.000	1	123.9500	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	124.6455	0.426	2	124.6455	0.182	2	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	124.8980	0.000	1	124.3313	0.268	3	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(COO){1|C<3>,1|H<1>}	124.0480	0.232	2	124.3313	0.268	3	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	125.2980	0.000	1	125.2980	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	123.9940	0.000	1	123.9940	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	123.8930	0.000	1	124.1205	0.128	4	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	124.1963	0.397	3	124.1205	0.128	4	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	124.8830	0.187	2	124.8830	0.035	2	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6]){1|C<3>}	123.8700	0.000	1	123.8700	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5]){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(COO){1|C<3>,1|C<4>}	124.2300	0.000	1	124.2300	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	125.1745	0.366	4	125.1745	0.134	4	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[6]N){1|C<3>,1|H<1>}	125.4368	0.375	4	125.4368	0.140	4	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>}	125.0110	0.000	1	125.0110	0.000	1	124.6791	0.376	26	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	123.9220	0.243	2	123.9220	0.059	2	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){2|H<1>,3|C<3>}	125.6600	0.000	1	125.6600	0.000	1	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,3|C<3>}	124.2043	0.299	4	124.2043	0.090	4	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]P)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|O<2>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]P)(C[6a]N[6a]O){1|H<1>,1|N<2>,1|O<2>,1|P<4>,2|C<3>}	124.6285	0.765	4	124.6285	0.586	4	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	124.2103	0.144	4	124.2103	0.021	4	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OTi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OTi){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	121.7420	0.000	1	121.7420	0.000	1	124.2136	0.747	16	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|H<1>}	125.8050	0.000	1	125.8050	0.000	1	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	125.1720	0.086	2	125.1720	0.007	2	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	121.6640	0.000	1	121.4250	0.185	3	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	121.3055	0.534	2	121.4250	0.185	3	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	122.7400	0.000	1	122.7400	0.000	1	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	124.3388	0.871	4	124.3388	0.759	4	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	123.9710	0.000	1	123.9710	0.000	1	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]O)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]O)2(NOO){1|C<3>}	122.2360	0.044	2	122.2360	0.002	2	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	121.9685	0.173	2	121.9685	0.030	2	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	122.0550	0.446	3	122.0550	0.199	3	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|C<4>}	127.5720	0.000	2	127.5720	0.000	2	123.5337	3.890	21	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S){2|N<3>,4|C<3>}	123.6687	0.498	3	123.6687	0.248	3	123.6687	0.248	3	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	122.4505	0.265	2	122.4505	0.070	2	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	122.0609	0.697	8	122.0609	0.486	8	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	123.0930	0.000	1	123.5517	0.628	3	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	123.7810	0.970	2	123.5517	0.628	3	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	123.2700	0.000	1	123.2700	0.000	1	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){4|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO){1|C<3>}	121.5260	0.000	1	121.5260	0.000	1	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	123.7330	0.782	2	123.7330	0.612	2	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(COO){1|C<3>,1|H<1>}	123.1980	0.874	2	123.1980	0.764	2	122.6685	0.888	19	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S){2|C<4>,2|H<1>,3|C<3>}	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	121.2570	0.000	1	121.2570	0.000	1	120.2940	0.700	3	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO){1|C<3>,1|H<1>}	119.8125	0.098	2	119.8125	0.010	2	120.2940	0.700	3	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	123.9990	0.000	1	123.9990	0.000	1	123.3040	0.596	4	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	123.0723	0.757	3	123.0723	0.573	3	123.3040	0.596	4	123.8058	2.229	132	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	125.8820	0.000	1	125.8820	0.000	1	125.8820	0.000	1	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|Si<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3){3|C<3>}	124.2740	0.563	2	124.2740	0.317	2	124.2740	0.317	2	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	122.6220	0.226	2	122.6220	0.051	2	122.9367	2.098	6	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH){3|C<3>}	121.5590	0.832	2	121.5590	0.691	2	122.9367	2.098	6	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NMo)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NMo){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	124.6290	0.157	2	124.6290	0.025	2	122.9367	2.098	6	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O){1|C<3>,2|C<4>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>}	124.9260	0.000	1	124.9260	0.000	1	125.0065	1.606	8	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>}	126.7870	0.000	1	126.7870	0.000	1	125.0065	1.606	8	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|H<1>}	125.9410	0.000	1	125.9410	0.000	1	125.0065	1.606	8	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]O)2(CC[6a]CH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]O)2(CC[6a]CH){1|C<3>,1|H<1>}	123.7013	0.770	3	123.7013	0.593	3	125.0065	1.606	8	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	125.6470	0.272	2	125.6470	0.074	2	125.0065	1.606	8	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(SiC3)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(SiC3){1|H<1>,3|C<3>}	126.5105	0.047	2	126.5105	0.002	2	126.5105	0.002	2	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3){1|C<3>}	123.3200	0.000	1	123.3200	0.000	1	122.8593	0.159	3	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO){1|C<3>}	122.6290	0.017	2	122.6290	0.000	2	122.8593	0.159	3	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>}	124.8145	0.144	2	124.8145	0.021	2	124.7912	0.020	4	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	124.7680	0.194	2	124.7680	0.038	2	124.7912	0.020	4	124.2938	2.225	29	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	124.4520	0.231	2	124.4520	0.053	2	124.4520	0.053	2	124.4520	0.053	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	125.5580	0.000	1	125.5580	0.000	1	125.5580	0.000	1	125.5580	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	126.0567	0.408	3	126.1488	0.145	4	126.1488	0.145	4	126.1488	0.145	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:2:	3:3:	4:3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	126.4250	0.000	1	126.1488	0.145	4	126.1488	0.145	4	126.1488	0.145	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	2:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N-2:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	2:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH){1|B<4>,3|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|C<3>,2|F<1>,2|H<1>,2|N<3>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	124.6720	1.809	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	2:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	125.4460	0.156	2	125.4460	0.024	2	125.4460	0.024	2	124.6720	1.809	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>}	119.8160	0.000	1	119.8160	0.000	1	120.7280	1.663	2	120.7280	1.663	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	121.6400	0.000	1	121.6400	0.000	1	120.7280	1.663	2	120.7280	1.663	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|H<1>,1|N<2>}	121.5220	0.697	2	121.5220	0.486	2	122.6870	1.135	8	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	123.1755	0.062	2	123.1755	0.004	2	122.6870	1.135	8	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	123.0252	1.126	4	123.0252	1.268	4	122.6870	1.135	8	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	122.4360	0.272	2	122.4360	0.074	2	122.4360	0.074	2	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	121.1080	0.000	1	121.1080	0.000	1	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	123.4000	0.000	1	123.4000	0.000	1	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	121.5467	0.609	3	121.6804	0.219	5	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	121.8810	0.023	2	121.6804	0.219	5	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	121.8420	0.024	2	121.7700	0.016	3	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	121.6260	0.000	1	121.7700	0.016	3	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	122.2559	0.346	7	122.2559	0.119	7	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	123.0555	0.380	2	123.0555	0.144	2	122.1117	0.425	19	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>}	120.7580	0.000	1	121.6562	0.460	4	121.6562	0.460	4	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>}	121.9557	0.389	3	121.6562	0.460	4	121.6562	0.460	4	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO){2|C<3>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(H){1|N<2>,1|S<2>,2|C<3>}	124.7340	0.518	3	124.7340	0.269	3	124.7340	0.269	3	122.4959	1.249	37	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|N<2>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:2:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|H<1>,1|N<2>}	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO){1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	123.4370	0.000	1	123.4370	0.000	1	123.4370	0.000	1	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	123.2430	0.000	1	123.2430	0.000	1	123.2430	0.000	1	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH){2|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	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>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	122.2090	0.000	1	122.2090	0.000	1	121.4790	1.066	2	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|C<3>,3|N<2>}	120.7490	0.000	1	120.7490	0.000	1	121.4790	1.066	2	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	121.4855	0.372	8	121.4855	0.139	8	121.4855	0.139	8	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	122.0297	0.297	3	122.0297	0.088	3	122.0297	0.088	3	121.7363	0.715	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(H){1|S<2>,3|C<3>}	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	120.0857	0.107	3	119.6205	1.109	6	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	119.1553	1.453	3	119.6205	1.109	6	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	120.4120	0.000	1	120.5668	0.198	19	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.5754	0.456	18	120.5668	0.198	19	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(H){1|C<3>}	119.8685	0.115	2	119.8685	0.013	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.0580	0.100	2	122.0580	0.010	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	119.2960	0.000	1	119.2960	0.000	1	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.0776	0.501	8	121.0776	0.251	8	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	121.7630	0.333	5	121.9856	0.416	138	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.2840	0.000	1	121.9856	0.416	138	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.9994	0.652	132	121.9856	0.416	138	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.2790	0.000	1	121.7330	0.412	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1870	0.000	1	121.7330	0.412	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	119.1300	0.066	2	119.1300	0.004	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.1050	0.000	1	122.1050	0.000	1	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.0520	0.000	1	121.0520	0.000	1	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	121.4504	1.149	9	121.4459	0.922	30	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.5010	0.000	1	121.4459	0.922	30	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.4411	0.922	20	121.4459	0.922	30	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.0545	1.063	2	121.0545	1.130	2	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	122.0510	0.000	1	122.0510	0.000	1	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.6880	0.000	1	121.6880	0.000	1	121.6129	0.877	216	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[4]O[4]2){1|In<5>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]C[4])(N[6a]C[6a])(H){2|C<3>,2|O<2>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	120.5960	0.000	1	121.6584	0.246	8	121.6584	0.246	8	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6520	0.051	2	121.6584	0.246	8	121.6584	0.246	8	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.1390	0.146	2	121.6584	0.246	8	121.6584	0.246	8	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.9570	0.000	1	121.6584	0.246	8	121.6584	0.246	8	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	121.5660	0.000	2	121.6584	0.246	8	121.6584	0.246	8	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	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[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.4265	0.033	2	121.4265	0.001	2	121.4265	0.001	2	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]Cl){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|Cl<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	119.5742	0.575	5	119.5742	0.330	5	119.5742	0.330	5	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(H){1|N<2>,3|C<3>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	117.6518	0.279	5	117.6518	0.078	5	117.6518	0.078	5	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	117.6320	0.000	1	117.6320	0.000	1	118.7905	0.611	4	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){2|C<3>}	119.1767	0.148	3	119.1767	0.022	3	118.7905	0.611	4	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	120.5760	0.000	1	120.5760	0.000	1	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.1248	0.631	5	121.1248	0.398	5	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){2|C<3>}	120.2895	0.271	2	120.2895	0.073	2	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.5378	0.634	16	121.5378	0.403	16	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.9181	0.329	8	120.9181	0.109	8	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	121.7460	0.000	1	121.7460	0.000	1	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	119.3655	0.180	2	118.6807	2.678	7	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	118.4068	1.919	5	118.6807	2.678	7	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.9250	0.297	2	120.9250	0.088	2	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	121.5969	0.362	7	121.5969	0.131	7	120.9034	1.492	49	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|C<4>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.5585	0.226	2	123.5585	0.051	2	123.5585	0.051	2	121.3650	1.416	295	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:C-2:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	119.5695	0.407	2	119.5695	0.165	2	119.7840	0.451	4	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:C-2:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|N<3>,3|C<3>}	120.7070	0.000	1	120.7070	0.000	1	119.7840	0.451	4	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:C-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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|S<2>,3|C<3>}	119.2900	0.000	1	119.2900	0.000	1	119.7840	0.451	4	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:O-2:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	119.0930	0.000	1	119.0930	0.000	1	119.0930	0.000	1	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	117.9045	0.132	2	117.9045	0.017	2	117.9045	0.017	2	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	118.3203	1.184	9	118.3203	1.401	9	118.2390	1.155	11	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	117.8730	0.140	2	117.8730	0.020	2	118.2390	1.155	11	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	121.1690	0.000	1	121.1690	0.000	1	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	120.2740	0.372	2	120.2740	0.138	2	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	121.0430	0.000	1	121.0430	0.000	1	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	119.5560	0.000	1	119.5560	0.000	1	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	119.1560	0.000	1	119.1560	0.000	1	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	119.6385	0.224	2	119.6385	0.050	2	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	121.2950	0.000	1	121.2950	0.000	1	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	121.2280	0.263	2	121.3233	0.062	3	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	121.5140	0.000	1	121.3233	0.062	3	120.5012	0.728	12	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6])	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh2){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SRh){1|C<3>,1|H<1>}	122.4820	0.730	2	122.4820	0.533	2	122.4820	0.533	2	119.5362	2.328	33	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	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>}	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	120.1715	0.400	2	120.1715	0.160	2	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	120.3020	0.000	1	120.3020	0.000	1	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	121.4013	0.684	12	121.4013	0.468	12	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	120.9384	1.014	5	120.9384	1.028	5	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	120.2974	0.321	9	120.8380	0.468	28	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	121.0796	0.680	18	120.8380	0.468	28	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	121.3540	0.000	1	120.8380	0.468	28	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	121.2003	0.194	3	121.0410	0.144	25	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	120.8509	0.312	9	121.0410	0.144	25	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	121.1520	0.000	1	121.0410	0.144	25	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	121.1345	0.435	12	121.0410	0.144	25	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|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[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	118.6730	0.000	1	118.6730	0.000	1	120.9502	0.484	74	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	120.0577	0.343	3	120.0577	0.118	3	120.4934	0.261	7	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	120.8203	0.332	4	120.8203	0.110	4	120.4934	0.261	7	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5]){1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|C<3>}	121.8110	0.000	1	121.6000	0.089	2	121.6000	0.089	2	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<4>,2|N<3>,4|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[6a](C[6a]N[6a]C[5])(N[6a]C[6,6a])(C[5]N[5]2){1|Pt<4>,1|C<2>,1|C<4>,2|N<3>,3|C<3>}	121.3890	0.000	1	121.6000	0.089	2	121.6000	0.089	2	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	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[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>}	121.2135	0.521	2	121.2135	0.272	2	121.4032	0.167	4	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2)	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[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>}	121.5930	0.293	2	121.5930	0.086	2	121.4032	0.167	4	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	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[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>}	121.2360	0.602	2	121.3955	0.157	10	121.3955	0.157	10	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	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[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>}	121.4170	0.532	2	121.3955	0.157	10	121.3955	0.157	10	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	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[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>}	121.0390	0.000	1	121.3955	0.157	10	121.3955	0.157	10	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	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[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>}	121.6400	0.275	4	121.3955	0.157	10	121.3955	0.157	10	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2: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[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	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[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>}	121.0500	0.000	1	121.3955	0.157	10	121.3955	0.157	10	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	122.1037	0.564	4	122.1037	0.319	4	121.9763	0.269	12	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.0910	0.354	2	121.7963	0.396	4	121.9763	0.269	12	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.5015	0.846	2	121.7963	0.396	4	121.9763	0.269	12	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.0290	0.451	4	122.0290	0.204	4	121.9763	0.269	12	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	120.4380	0.000	1	120.4380	0.000	1	118.2415	9.649	2	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	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[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.0450	0.000	1	116.0450	0.000	1	118.2415	9.649	2	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5a]C[5a]2)	C[6a](C[6a]C[5a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	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>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|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[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.3340	0.000	1	121.3340	0.000	1	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	120.4652	0.702	4	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.1140	0.000	1	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	121.1123	0.850	4	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	120.7030	0.544	2	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.9450	0.000	1	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1430	0.693	2	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	120.1960	0.000	1	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	121.0660	0.000	1	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1821	0.469	58	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	121.0268	0.433	4	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.7873	0.156	3	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.0860	0.535	2	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.1770	0.000	1	121.1036	0.288	84	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.4447	0.760	4	121.3377	0.275	11	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	121.2766	0.397	7	121.3377	0.275	11	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.8994	0.735	5	116.8994	0.540	5	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	118.1650	0.000	1	118.1650	0.000	1	120.8962	1.209	102	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	119.7032	0.166	4	119.7032	0.028	4	120.0883	0.273	7	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	120.6017	0.292	3	120.6017	0.085	3	120.0883	0.273	7	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	118.9380	0.162	3	118.9380	0.026	3	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	121.4220	0.000	1	121.4220	0.000	1	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	120.2460	0.000	1	120.2460	0.000	1	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	118.2670	0.351	4	118.2670	0.123	4	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	122.2600	0.372	3	122.2600	0.138	3	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	121.9898	0.277	4	121.9898	0.077	4	120.3931	3.140	16	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|S<3>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SFe2){1|C<3>,1|H<1>}	123.1478	0.416	6	123.1478	0.173	6	123.1478	0.173	6	120.9639	1.210	246	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	120.1280	0.000	1	120.1280	0.000	1	121.4052	0.946	6	121.7143	1.192	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	121.0863	0.386	3	121.0863	0.149	3	121.4052	0.946	6	121.7143	1.192	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	122.5220	0.000	2	122.5220	0.000	2	121.4052	0.946	6	121.7143	1.192	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	123.4550	0.000	1	123.4550	0.000	1	123.4550	0.000	1	121.7143	1.192	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-4:	C[6a](C[6a]N[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[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe){2|C<4>,2|H<1>,4|C<3>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.7143	1.192	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[5a]N[6a])(H)	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[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[5a]N[6a])(H){1|N<3>,5|C<3>}	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	120.9190	0.000	1	121.5437	0.383	3	121.8490	0.392	5	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(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|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	121.8560	0.424	2	121.5437	0.383	3	121.8490	0.392	5	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6,6a]H)(H){1|S<2>,3|C<3>}	122.5350	0.000	1	122.5350	0.000	1	121.8490	0.392	5	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6,6a]C[6a])(C[6a]C[5a]N[6a])(H)	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[6a](C[6a]C[6,6a]C[6a])(C[6a]C[5a]N[6a])(H){1|S<2>,5|C<3>}	122.0790	0.000	1	122.0790	0.000	1	121.8490	0.392	5	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){4|C<3>}	121.8830	0.000	1	121.8830	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(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[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(H){6|C<3>}	122.5540	0.000	1	122.5540	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	123.1830	0.000	1	123.1830	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	122.6650	0.164	2	122.6650	0.027	2	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|O<2>,3|C<3>}	122.7390	0.000	1	122.7390	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	122.0090	0.000	1	122.5860	0.250	3	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	122.8745	0.009	2	122.5860	0.250	3	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	123.7580	0.000	1	123.7580	0.000	1	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	123.9410	0.113	2	123.9410	0.013	2	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	123.5407	0.393	3	123.5407	0.154	3	122.9841	0.485	16	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.6980	0.000	1	122.6980	0.000	1	123.3970	0.977	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){1|S<2>,3|C<3>}	124.0960	0.000	1	124.0960	0.000	1	123.3970	0.977	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	123.3920	0.277	2	123.3920	0.077	2	123.3175	0.040	4	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	123.2430	0.141	2	123.2430	0.020	2	123.3175	0.040	4	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:B[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2)	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]B[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(B[5]O[5]2){2|C<3>,3|C<4>}	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]N[6a]B[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|O<2>}	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO){3|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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H){1|N<3>,1|O<1>,2|C<3>}	126.1980	0.000	1	126.1980	0.000	1	126.1980	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO){3|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[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	125.3065	0.101	2	125.3065	0.010	2	125.3065	0.010	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]N[6a]C)(H){3|C<3>}	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	125.2030	0.000	1	125.2030	0.000	1	125.0325	0.058	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	124.8620	0.000	1	124.8620	0.000	1	125.0325	0.058	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){3|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	123.9910	0.000	1	123.9910	0.000	1	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	124.0230	0.000	1	124.0230	0.000	1	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	124.1985	0.354	2	124.1985	0.126	2	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	124.3080	0.000	1	123.8840	0.360	2	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	123.4600	0.000	1	123.8840	0.360	2	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	124.0000	0.000	1	124.0000	0.000	1	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|Br<1>,3|C<3>}	122.7970	0.000	1	123.3955	0.549	6	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	124.0025	0.026	2	123.3955	0.549	6	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	122.7720	0.687	2	123.3955	0.549	6	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	124.0270	0.000	1	123.3955	0.549	6	123.7348	0.384	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	123.4600	0.000	1	123.4600	0.000	1	123.4600	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	123.2645	0.216	2	123.2645	0.047	2	123.1870	0.041	3	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	123.0320	0.000	1	123.0320	0.000	1	123.1870	0.041	3	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	121.9910	0.000	1	121.9910	0.000	1	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	124.1270	0.820	3	124.1270	0.672	3	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.3990	0.000	1	123.3990	0.000	1	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.2445	0.562	2	123.2445	0.316	2	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.9100	0.000	1	122.9100	0.000	1	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	124.4470	0.000	1	124.4470	0.000	1	123.5130	0.813	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	121.8125	1.008	2	121.8125	1.015	2	121.8125	1.015	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	121.0468	0.900	4	121.0468	0.810	4	121.9298	1.326	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	122.0080	0.000	1	122.0080	0.000	1	121.9298	1.326	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	123.6470	0.000	1	123.6470	0.000	1	121.9298	1.326	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	123.1390	0.000	1	123.1390	0.000	1	121.9298	1.326	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	122.1935	0.711	2	122.1935	0.505	2	121.9298	1.326	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(F){1|C<3>,1|H<1>}	119.9880	0.235	2	119.9880	0.055	2	119.9880	0.055	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7370	0.759	15	121.7370	0.576	15	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7550	0.686	3	121.7270	0.357	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6850	0.693	2	121.7270	0.357	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8370	0.000	1	121.8370	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5243	0.669	59	121.5243	0.448	59	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4145	0.896	2	122.4145	0.803	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	119.7756	0.499	9	119.7756	0.249	9	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.5010	0.621	2	120.5010	0.385	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.6437	0.141	6	120.6437	0.020	6	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	120.9640	0.000	1	120.9640	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.7760	0.000	1	120.7760	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	120.3995	0.319	4	120.3995	0.102	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7160	0.071	2	122.7160	0.005	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8348	0.978	5	122.4331	0.918	8	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7637	0.474	3	122.4331	0.918	8	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8660	0.000	1	122.8660	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6680	0.000	1	122.7115	0.004	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7550	0.000	1	122.7115	0.004	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	121.0540	0.000	1	121.9726	0.674	73	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9854	0.820	72	121.9726	0.674	73	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.1610	0.000	1	124.1610	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.1275	0.107	2	123.1275	0.011	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5385	0.378	2	122.5385	0.143	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4807	0.426	3	122.4942	0.197	49	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4950	0.449	46	122.4942	0.197	49	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3410	0.000	1	123.3410	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8930	0.000	1	123.4745	0.350	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0560	0.000	1	123.4745	0.350	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0713	0.511	43	123.0713	0.261	43	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.1693	0.374	4	123.1693	0.140	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0910	0.017	2	122.9907	0.442	12	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7707	0.466	10	122.9907	0.442	12	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2190	1.131	3	121.2190	1.279	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6160	0.158	2	123.6160	0.025	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1365	0.158	2	122.1365	0.025	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9170	0.000	1	121.9170	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8640	0.790	13	121.8640	0.625	13	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1995	0.105	2	122.1995	0.011	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5170	0.000	1	123.5170	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4725	0.486	2	122.4725	0.236	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0497	0.922	4	123.0497	0.849	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5820	0.000	1	121.5820	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8600	0.127	2	123.8600	0.016	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8992	0.818	22	121.8992	0.670	22	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0682	0.969	10	123.0682	0.938	10	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8173	0.259	4	122.8173	0.067	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3300	0.593	8	122.3300	0.351	8	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8705	0.323	2	122.8705	0.104	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8909	0.818	38	121.8909	0.669	38	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6085	0.185	2	122.6085	0.034	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	124.0610	0.000	1	124.0610	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5060	0.000	1	123.5060	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6847	0.298	3	123.6847	0.089	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0875	0.443	2	124.0875	0.197	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	123.4530	0.000	1	123.4530	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.6340	0.000	1	123.6340	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4624	0.503	8	123.4624	0.253	8	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.9400	0.000	1	123.9400	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	122.5820	0.000	1	122.5820	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4590	0.000	1	122.4590	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	120.0820	0.000	1	120.0820	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9000	0.000	1	122.9000	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7950	0.045	2	122.8482	0.093	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8837	0.425	3	122.8482	0.093	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6720	0.439	3	121.6720	0.193	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2060	0.000	1	122.2060	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2370	0.000	1	122.2370	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Br<1>,1|C<3>}	121.8860	0.000	1	122.4797	0.429	113	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.2386	0.250	5	122.4797	0.429	113	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4965	0.667	107	122.4797	0.429	113	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2690	0.000	1	123.2690	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5134	0.484	5	122.5134	0.234	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2733	0.373	3	122.9431	0.190	34	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0079	0.388	31	122.9431	0.190	34	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6368	0.467	6	123.6368	0.218	6	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2450	0.000	1	123.2450	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	122.4380	0.240	2	122.4380	0.058	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.2710	0.000	1	124.2710	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.3545	0.129	2	124.3545	0.017	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6930	0.000	1	122.6930	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Br<1>,1|C<3>}	123.8620	0.000	1	123.0457	0.580	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	122.6375	0.401	2	123.0457	0.580	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.4620	0.000	1	124.4620	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CIrC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CIrC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5330	0.000	1	123.5330	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9880	0.542	41	122.9880	0.294	41	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6980	0.000	1	123.6980	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9070	0.165	3	122.9070	0.027	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2080	0.207	3	123.2080	0.043	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7285	3.147	2	122.4803	6.649	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.9840	0.000	1	122.4803	6.649	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5840	0.004	2	123.5840	0.000	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.1520	0.095	2	124.1520	0.009	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8220	0.176	3	123.8220	0.031	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	123.5580	0.358	2	123.3851	0.233	201	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3933	0.475	190	123.3851	0.233	201	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	123.1731	0.655	9	123.3851	0.233	201	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.3226	0.523	8	124.3226	0.273	8	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0937	0.159	3	124.0937	0.025	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4352	0.355	30	123.4352	0.126	30	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	123.2645	0.032	2	123.2645	0.001	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5460	0.356	2	123.5460	0.127	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0787	0.195	4	124.0787	0.038	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8342	0.106	5	123.1374	0.309	433	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1640	0.552	11	123.1374	0.309	433	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1284	0.555	417	123.1374	0.309	433	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.1167	0.286	3	124.0624	0.057	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.9810	0.208	2	124.0624	0.057	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1260	0.000	1	123.1260	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7498	0.160	4	122.7498	0.026	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3587	0.581	15	122.3587	0.338	15	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.9660	0.000	1	123.9660	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5435	0.062	2	123.5435	0.004	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8580	0.000	1	123.8580	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7615	0.063	2	121.7615	0.004	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7730	0.000	1	121.7730	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9017	0.649	6	122.9017	0.421	6	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8000	0.000	1	122.8000	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0717	0.555	4	124.0717	0.309	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5730	0.403	3	123.5730	0.162	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	124.9693	0.481	4	124.9693	0.232	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4090	0.000	1	123.4090	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.3810	0.000	1	123.3920	1.594	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.8250	0.000	1	123.3920	1.594	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9700	0.000	1	123.3920	1.594	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4100	0.496	2	123.4100	0.246	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Br<1>,1|C<3>}	123.1020	0.000	1	123.3253	0.486	31	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	122.7050	0.000	1	123.3253	0.486	31	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	123.4190	0.000	1	123.3253	0.486	31	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4646	0.674	25	123.3253	0.486	31	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.4150	0.365	3	123.3253	0.486	31	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6040	0.000	1	123.7498	0.050	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.7862	0.241	4	123.7498	0.050	5	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.4110	0.000	1	124.4110	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	122.0010	0.000	1	122.0010	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	122.5075	0.366	2	122.5075	0.134	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	122.3025	0.284	2	122.3025	0.080	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){4|C<3>}	123.9760	0.000	1	123.9101	0.073	10	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.9028	0.285	9	123.9101	0.073	10	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.3358	0.155	6	124.3358	0.024	6	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3215	0.260	2	123.3215	0.067	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	124.4825	0.086	2	124.4825	0.007	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0525	0.063	4	124.0525	0.004	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Br<1>,1|C<3>}	122.8260	0.000	1	123.0941	1.287	166	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2673	0.605	27	123.0941	1.287	166	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0622	1.214	138	123.0941	1.287	166	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]I)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.2520	0.612	4	124.2520	0.375	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1125	2.471	4	122.1125	6.106	4	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6750	0.000	1	122.6750	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.8220	0.000	1	122.8220	0.000	1	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	122.2025	0.022	2	122.2025	0.000	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4399	0.429	15	123.4399	0.184	15	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.2180	0.772	2	120.2180	0.596	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5343	1.815	3	121.5343	3.293	3	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4040	0.723	2	122.4040	0.522	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8445	0.412	2	121.8445	0.170	2	122.8830	0.891	1695	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH){1|Co<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]Co)(C[6a]N[6a]C)(H){2|C<3>}	120.2830	0.000	1	120.2830	0.000	1	120.2830	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|N<3>,1|O<1>}	121.8330	0.000	1	121.8330	0.000	1	122.5933	0.468	3	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|N<3>,1|O<1>}	123.1590	0.000	1	123.1590	0.000	1	122.5933	0.468	3	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|N<3>,1|O<1>}	122.7880	0.000	1	122.7880	0.000	1	122.5933	0.468	3	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[4]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[4]C[4]2){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.0710	0.000	1	123.0710	0.000	1	123.0710	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	122.5910	0.000	1	122.0216	0.492	5	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	121.8792	0.722	4	122.0216	0.492	5	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|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[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.4890	0.000	1	123.4890	0.000	1	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.8400	0.000	1	123.8400	0.000	1	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|N<2>}	123.7160	0.000	1	123.7160	0.000	1	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|N<3>}	124.2250	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.8415	0.149	2	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.5380	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.6105	0.261	2	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9860	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2630	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.5990	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Cd<5>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.5640	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.7077	0.399	6	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.6005	0.236	8	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3440	0.000	1	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.6027	0.443	94	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	132.5830	5.455	2	123.7462	1.753	121	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5627	0.271	8	123.5410	0.085	14	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.7000	0.074	2	123.5410	0.085	14	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3300	0.662	2	123.5410	0.085	14	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|Rh<6>,1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,4|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.5120	0.000	1	123.5410	0.085	14	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5000	0.000	1	123.5410	0.085	14	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<4>}	119.8080	0.000	1	119.8080	0.000	1	123.6377	1.698	144	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	123.0663	0.217	3	123.0663	0.047	3	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	121.6040	0.000	1	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.0020	0.000	1	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.8290	0.000	1	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	122.8288	0.801	5	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){4|C<3>}	121.2518	0.700	4	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8697	1.215	15	122.0234	1.312	27	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(H){3|C<3>}	122.1230	0.000	1	122.1230	0.000	1	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H){3|C<3>}	122.4400	0.000	1	122.4400	0.000	1	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	120.3980	0.000	1	120.6836	0.109	5	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	120.5670	0.000	1	120.6836	0.109	5	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	121.0335	0.080	2	120.6836	0.109	5	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	120.3860	0.000	1	120.6836	0.109	5	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	122.4750	0.091	2	122.7239	0.117	10	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	122.7861	0.357	8	122.7239	0.117	10	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	122.5812	0.315	10	122.5812	0.099	10	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.6770	0.000	1	122.6770	0.000	1	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8365	0.115	2	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4430	0.000	1	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9560	0.000	1	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3722	0.111	6	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.4190	0.119	3	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5970	0.000	1	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.8050	0.129	2	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1645	1.027	2	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.3470	0.341	8	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5815	0.336	4	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.6508	0.500	4	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.3855	0.631	4	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	124.3400	0.000	1	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.3134	0.720	33	123.3615	0.473	72	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.7865	0.313	4	122.7865	0.098	4	122.8411	1.000	134	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	123.2490	0.000	1	123.2490	0.000	1	123.2490	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(H){1|C<4>,1|N<2>,2|C<3>}	121.9384	0.476	5	122.0236	0.132	9	122.0236	0.132	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6,6a])(C[6a]C[6a]H){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]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(H){1|C<4>,1|N<2>,2|C<3>}	122.1300	0.149	4	122.0236	0.132	9	122.0236	0.132	9	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	122.2157	0.302	3	122.2157	0.091	3	122.7071	0.858	7	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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[5,6])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	122.2525	0.296	2	122.2525	0.088	2	122.7071	0.858	7	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	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[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|N<2>,3|C<3>}	124.5690	0.000	1	124.5690	0.000	1	122.7071	0.858	7	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]H)(H){1|N<2>,3|C<3>}	123.2290	0.000	1	123.2290	0.000	1	122.7071	0.858	7	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,5|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[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|N<3>,1|O<1>,4|C<3>}	124.1990	0.000	1	124.1990	0.000	1	124.1990	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){7|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	123.7580	0.000	1	123.7580	0.000	1	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	122.4330	0.000	1	122.4330	0.000	1	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(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[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	122.8550	0.000	1	122.8550	0.000	1	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	122.6290	0.058	2	122.6290	0.003	2	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){1|N<2>,3|C<3>}	122.7275	0.015	2	122.7275	0.000	2	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	123.2000	0.000	1	122.9523	0.342	14	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	122.6602	0.518	9	122.9523	0.342	14	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(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]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	123.5475	0.143	4	122.9523	0.342	14	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	123.3913	0.179	3	123.3913	0.032	3	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a]O[6a])(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[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|O<2>,3|C<3>}	124.0920	0.000	1	124.0920	0.000	1	123.0143	0.314	25	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	122.1100	0.000	1	122.1100	0.000	1	122.1100	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	123.9540	0.000	1	123.9540	0.000	1	123.9385	0.000	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	123.9230	0.000	1	123.9230	0.000	1	123.9385	0.000	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	120.7000	0.000	1	120.7000	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	120.6740	0.000	1	120.6740	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br){1|C<3>}	120.7160	0.000	1	120.7160	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]N)2(Br){1|C<3>}	121.2645	0.375	4	121.2645	0.141	4	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	121.1200	0.000	1	121.1200	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	120.3110	0.000	1	120.3110	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	118.7583	0.177	3	118.7583	0.031	3	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	120.9880	0.000	1	120.9880	0.000	1	120.4494	1.055	13	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	121.3870	0.000	1	121.3870	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)2(Cl){1|C<3>}	120.6760	1.522	4	120.6760	2.318	4	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|C<4>}	122.2870	0.000	1	122.2870	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	120.0680	0.000	1	120.0680	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	119.9880	0.000	1	119.9880	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl){1|C<3>}	118.8412	0.565	10	118.8412	0.319	10	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	119.8200	0.000	1	120.4304	0.130	7	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	120.5322	0.264	6	120.4304	0.130	7	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	120.1550	0.000	1	120.1550	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|O<2>}	123.2440	0.000	1	123.2440	0.000	1	120.0466	1.723	27	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]N)2(F){1|C<3>}	119.7230	0.417	2	119.7230	0.174	2	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F){1|C<3>}	118.9690	0.000	1	118.9690	0.000	1	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	119.4750	0.615	2	119.4750	0.378	2	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	118.6570	0.112	2	118.6570	0.012	2	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	120.2510	0.000	1	120.2510	0.000	1	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|C<4>}	119.9020	0.914	7	119.7046	0.241	52	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	119.6739	0.398	45	119.7046	0.241	52	119.6595	0.269	60	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	120.9550	0.000	1	120.9550	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	121.7010	0.000	1	121.7010	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.0640	0.000	1	122.0640	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.6010	0.000	1	121.6010	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3690	1.724	2	123.3690	2.972	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.4430	0.000	1	122.0438	1.657	25	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	121.5498	0.218	4	122.0438	1.657	25	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.2278	1.430	19	122.0438	1.657	25	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.1250	0.000	1	122.0438	1.657	25	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	120.8184	0.336	5	120.8184	0.113	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	120.5510	0.000	1	120.5510	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9933	1.365	4	122.9933	1.864	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	120.0170	0.000	1	120.0170	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.6378	0.306	6	123.6378	0.094	6	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	123.4710	0.000	1	123.4710	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3180	0.070	3	123.3180	0.005	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.7540	0.000	1	122.7540	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){4|C<3>}	121.4170	0.000	1	121.4170	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.0446	1.021	5	123.0446	1.043	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.9265	0.272	2	123.2088	0.313	84	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2521	0.624	48	123.2088	0.313	84	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1055	0.431	34	123.2088	0.313	84	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.2970	0.000	1	124.2970	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.4900	0.000	1	122.4900	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	123.1745	0.127	2	123.1745	0.016	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	122.4570	0.000	1	122.4570	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.7621	0.874	10	123.3697	1.471	12	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.4080	0.260	2	123.3697	1.471	12	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	122.0662	0.737	8	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	123.5300	0.000	1	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.7622	0.543	10	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	123.6480	0.000	1	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	125.8500	0.000	1	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	122.4770	0.883	5	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.6833	0.989	218	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	122.6088	0.929	9	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.1790	0.000	1	122.6779	0.965	254	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.0220	0.000	1	123.0220	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.6240	0.000	1	122.6240	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	125.1935	0.047	2	125.1935	0.002	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	121.9330	0.000	1	121.9330	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	121.2560	0.000	1	121.2560	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	123.0191	0.605	7	123.0191	0.366	7	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	121.9895	1.603	2	121.9895	2.570	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	121.6710	0.778	3	121.6710	0.606	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	123.1070	0.000	1	123.1070	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.0210	0.253	2	123.1189	0.870	100	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2173	0.348	7	123.1189	0.870	100	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1574	0.921	91	123.1189	0.870	100	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.0226	0.866	5	122.0226	0.750	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2200	0.000	1	123.2200	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.8320	1.181	4	123.8320	1.396	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	122.6224	0.546	5	122.6224	0.298	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	122.3313	0.364	3	122.3313	0.133	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1732	0.214	4	123.1732	0.046	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	122.0700	0.000	1	122.0700	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	122.8155	0.643	2	122.8155	0.413	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	124.8600	0.000	1	124.8600	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	123.5477	0.389	3	123.5477	0.152	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	124.9400	0.187	2	124.9400	0.035	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3755	0.344	2	122.3755	0.119	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	124.1960	0.000	1	124.1960	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.2560	0.000	1	124.2560	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.8790	0.000	1	123.8790	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	125.1300	0.167	2	125.1300	0.028	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.7040	0.000	1	121.7040	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	122.4340	0.000	1	122.4340	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3920	0.000	1	123.3920	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3700	0.000	1	123.3700	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3510	0.000	1	122.3510	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]Ir)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]Ir){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.9900	0.000	1	123.9900	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.4145	0.286	2	123.4145	0.082	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.8100	0.000	1	123.8100	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	125.0780	0.000	1	125.0780	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9080	0.146	2	122.9080	0.021	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.1460	0.988	5	124.1460	0.975	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.7470	0.000	1	121.7470	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.1020	0.201	2	121.1020	0.040	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5020	0.000	1	122.5020	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	122.1820	0.000	1	122.4605	0.155	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.7390	0.000	1	122.4605	0.155	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5642	1.546	27	122.5642	2.389	27	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	123.3190	0.000	1	123.3190	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	122.5210	0.000	1	122.5210	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Os)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Os){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3135	0.258	2	122.3135	0.067	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Rh)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Rh){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.1285	0.334	2	121.1285	0.112	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Ru)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Ru){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3497	0.748	3	122.3497	0.559	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Sn)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]Sn){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.2900	0.573	2	122.2900	0.328	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9880	0.909	2	122.9880	0.827	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2701	1.049	30	123.2701	1.099	30	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.2531	0.396	10	123.2531	0.157	10	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5445	0.158	2	122.5445	0.025	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1238	1.217	30	123.1238	1.481	30	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	121.7901	0.547	16	121.7901	0.300	16	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	121.7000	0.000	1	121.7000	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	122.5030	0.000	1	122.5030	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	123.5630	0.461	2	122.7244	0.678	248	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	121.5235	0.059	4	122.7244	0.678	248	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.7420	0.818	238	122.7244	0.678	248	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.4545	0.615	4	122.7244	0.678	248	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	120.9437	0.392	4	120.9437	0.153	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	119.9090	0.000	1	119.9090	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){4|C<3>}	122.8940	0.000	1	122.8940	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.8658	0.510	5	122.8658	0.260	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.2050	0.000	1	122.2050	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.6125	0.456	2	122.6125	0.208	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.2963	0.389	6	122.3045	0.109	8	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	122.3290	0.068	2	122.3045	0.109	8	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<4>}	121.4295	0.279	2	121.9417	0.762	73	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.9561	0.880	71	121.9417	0.762	73	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	121.1020	0.238	4	121.1020	0.057	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	122.8680	0.361	2	122.9488	0.470	52	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9520	0.697	50	122.9488	0.470	52	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.0110	0.000	1	122.0110	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	120.6920	0.000	1	120.6920	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5955	0.941	2	122.5955	0.886	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]Zn)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]Zn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	115.0920	0.000	1	115.0920	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCoC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCoC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.7119	1.486	11	122.7119	2.209	11	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCrC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9751	0.464	7	122.9751	0.215	7	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.4150	0.178	2	123.4150	0.032	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1174	1.321	7	123.1174	1.744	7	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.9570	0.000	1	123.9570	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	122.0750	0.000	1	122.0750	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)(H){1|Fe<10>,1|C<2>,1|C<3>,2|C<4>}	122.1740	0.000	1	122.1740	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.1883	0.256	3	122.1883	0.066	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.3880	0.000	1	121.3880	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.1560	0.000	2	121.1560	0.000	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,1|S<2>,2|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	117.3575	0.664	2	117.3575	0.441	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	120.2903	0.651	4	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	121.5840	0.000	1	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	121.3512	0.565	6	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<1>}	121.7120	0.000	1	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	119.0521	2.009	10	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	120.7816	0.672	5	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.9860	0.141	2	120.3781	2.626	29	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	122.7823	0.066	3	122.9048	0.042	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.0885	0.216	2	122.9048	0.042	5	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	121.8955	0.110	2	121.8955	0.012	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	122.1820	0.000	1	122.1820	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	123.4830	0.000	1	123.4830	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	119.9710	0.086	2	119.9710	0.007	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	121.0173	0.396	9	121.0173	0.157	9	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.3185	0.368	13	123.3185	0.135	13	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	122.5102	0.122	4	122.5102	0.015	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.6790	0.000	1	121.6790	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	120.6820	0.000	1	121.2955	1.219	80	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	121.2392	1.255	45	121.2955	1.219	80	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.3493	0.903	32	121.2955	1.219	80	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.0075	0.204	2	121.2955	1.219	80	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	121.6200	0.000	1	121.6200	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	121.7170	0.000	1	122.7843	0.871	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	122.7150	0.103	2	122.7843	0.871	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.9900	0.000	1	122.7843	0.871	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	121.5841	0.391	32	121.5841	0.153	32	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	122.6357	0.368	3	122.4072	0.233	13	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.3386	0.507	10	122.4072	0.233	13	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.5960	0.000	1	121.5960	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	119.8620	0.000	1	119.8620	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	119.3340	0.000	1	119.3340	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.4760	0.000	1	123.4760	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	122.9780	0.000	1	123.1105	0.390	34	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	121.9470	0.000	1	123.1105	0.390	34	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1510	0.608	32	123.1105	0.390	34	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H){1|C<3>,2|C<4>}	123.3825	0.235	2	123.3825	0.055	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	120.7030	0.000	1	120.7030	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.6520	0.000	1	123.2900	0.262	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	122.9280	0.000	1	123.2900	0.262	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.3070	0.000	1	123.3070	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9487	0.438	24	122.9487	0.192	24	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.0375	0.063	2	123.0375	0.004	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.9535	0.801	2	122.9535	0.642	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,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[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.6840	0.243	2	124.6840	0.059	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	121.6900	0.000	1	122.6096	0.485	10	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5067	0.650	3	122.6096	0.485	10	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	122.8143	0.692	6	122.6096	0.485	10	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	115.3930	0.000	1	115.3930	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NLiH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NLiH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	119.8403	1.898	3	119.8403	3.604	3	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NMnN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NMnN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.5285	1.528	2	123.5285	2.335	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	126.7690	1.151	2	126.7690	1.325	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.5960	0.000	1	123.5960	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1058	0.632	4	123.1058	0.400	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNiC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNiC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.3480	0.000	1	124.3480	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	127.0930	0.000	1	127.0930	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.9705	0.210	2	123.9705	0.044	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.0140	0.000	1	122.0140	0.000	1	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPdC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.5547	1.290	4	121.5547	1.664	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPtH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NPtH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	119.4370	0.397	2	119.4370	0.158	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.3755	0.371	2	121.3755	0.138	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NRuC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	124.7345	0.371	2	124.7345	0.138	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.8323	0.421	4	122.8323	0.177	4	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NZnC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	123.1305	0.367	2	123.1305	0.135	2	122.5709	1.449	1483	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	124.1275	0.008	2	124.0532	2.455	4	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.8950	0.000	1	124.0532	2.455	4	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.0630	0.000	1	124.0532	2.455	4	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.7620	0.000	2	124.2933	0.847	3	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.3560	0.000	1	124.2933	0.847	3	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.9670	0.000	1	125.0495	1.684	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1320	0.000	1	125.0495	1.684	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	125.6200	0.385	2	125.6200	0.148	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.8580	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.4490	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.8260	0.107	2	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.0030	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.4660	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.2760	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.1710	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.7709	0.338	8	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	123.6657	0.229	3	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.4360	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	124.2390	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.1840	0.481	5	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.2795	0.077	2	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.8293	0.555	6	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	124.4570	0.000	1	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.8300	0.663	2	124.7104	0.883	37	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	126.2820	0.000	2	126.2820	0.000	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.5990	0.000	1	126.2179	0.089	10	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.1756	0.283	9	126.2179	0.089	10	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Rh<6>,1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.4300	0.000	1	124.4300	0.000	1	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])2(H){5|C<3>}	124.6040	0.334	7	124.6040	0.111	7	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[5])2(H){1|C<3>,4|C<4>}	122.6450	0.010	2	122.6450	0.000	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5]){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	123.7240	0.000	1	123.7240	0.000	1	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.1420	0.000	1	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.8810	0.437	2	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.6040	0.000	1	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.5640	0.000	1	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[5])2{2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	124.2040	0.458	6	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.0344	1.330	56	124.9138	1.588	67	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.2210	0.000	1	125.8850	0.882	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.5490	0.000	1	125.8850	0.882	2	124.9009	1.379	140	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,4|C<4>,4|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[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H){1|C<3>,1|O<2>,5|C<4>}	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br){1|C<3>,2|C<4>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|C<3>,3|C<4>}	120.4530	0.000	1	120.4530	0.000	1	120.0340	0.351	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>}	119.6150	0.000	1	119.6150	0.000	1	120.0340	0.351	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.9520	0.000	1	121.9520	0.000	1	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){3|C<3>,3|C<4>}	121.9012	0.267	6	121.9012	0.071	6	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.2840	0.000	1	121.2840	0.000	1	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1410	0.000	1	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	121.5490	0.000	1	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.7386	1.069	15	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.2750	0.000	1	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.9427	1.638	3	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	124.9120	0.000	1	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.4530	0.000	1	122.7494	3.603	23	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>}	120.6730	0.000	1	120.6730	0.000	1	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	120.7940	0.000	1	120.7940	0.000	1	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	120.8882	0.429	6	120.8882	0.184	6	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	120.4920	0.071	2	120.4920	0.005	2	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])2(H){1|C<3>,4|C<4>}	121.7340	0.079	2	121.7340	0.006	2	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H){1|C<3>,2|C<4>}	121.4510	0.156	2	121.4510	0.024	2	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|S<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(H){1|C<3>,2|C<4>}	120.1810	0.000	1	120.1810	0.000	1	122.0046	2.518	46	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	121.9640	0.000	1	121.9640	0.000	1	121.9740	0.000	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	121.9840	0.000	1	121.9840	0.000	1	121.9740	0.000	2	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	120.2375	0.163	2	120.2375	0.027	2	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2150	0.000	1	123.2150	0.000	1	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,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[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.1770	0.000	1	122.1770	0.000	1	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.2850	0.000	1	122.2850	0.000	1	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.3730	0.349	3	122.3730	0.122	3	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	119.6470	1.505	2	119.6470	2.264	2	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.7960	0.000	1	122.7960	0.000	1	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2980	0.116	2	123.2980	0.013	2	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.8413	1.082	4	122.8413	1.171	4	122.0778	2.005	17	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<3>}	123.7950	0.000	1	122.9567	0.192	6	122.9567	0.192	6	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2)	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(P[5]P[5]2){2|H<1>,2|P<3>,3|C<3>}	N[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]N[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<3>}	122.7890	0.172	5	122.9567	0.192	6	122.9567	0.192	6	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.8080	0.000	1	125.8080	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SFe2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.6620	0.000	1	124.6620	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIr2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIr2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.3020	2.878	2	123.3020	8.282	2	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SIrC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.3900	0.000	1	125.3900	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMnMo)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SMnMo){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	122.9200	0.000	1	122.9200	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPd2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.3970	0.000	1	123.3970	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPdC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SPdC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.7270	1.415	4	125.7270	2.002	4	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRh2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRh2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	123.3305	0.141	2	123.3305	0.020	2	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRhC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRhC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.3780	0.000	1	125.3780	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SRuC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.9970	0.000	1	125.9970	0.000	1	124.6483	2.490	15	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl)	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,3|C<3>}	123.4267	0.297	4	123.4267	0.088	4	123.4267	0.088	4	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a]){2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	124.8830	0.000	1	124.8830	0.000	1	124.8830	0.000	1	122.7830	1.650	3923	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	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[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN)	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[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(CN){6|C<3>}	121.6990	0.307	4	121.6990	0.094	4	121.6990	0.094	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	120.6970	0.000	1	120.6970	0.000	1	120.9405	0.119	2	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|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[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	121.1840	0.000	1	121.1840	0.000	1	120.9405	0.119	2	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	118.9097	0.976	7	118.9097	0.953	7	118.7828	4.448	9	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	114.5070	0.000	1	114.5070	0.000	1	118.7828	4.448	9	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	122.1700	0.000	1	122.1700	0.000	1	118.7828	4.448	9	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	119.7600	0.000	1	119.7600	0.000	1	121.0940	1.343	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	122.5860	0.000	1	122.5860	0.000	1	121.0940	1.343	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	121.0910	0.000	1	121.0910	0.000	1	121.0940	1.343	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	120.9390	0.000	1	120.9390	0.000	1	121.0940	1.343	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	121.4198	0.513	5	121.4198	0.263	5	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	122.2345	0.098	2	122.2345	0.010	2	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	122.0310	0.130	2	122.0310	0.017	2	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	122.8487	0.232	3	122.8487	0.054	3	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	121.8961	0.261	8	121.8961	0.068	8	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OC){1|C<3>,1|C<4>}	124.1360	0.000	1	124.1360	0.000	1	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	122.5900	0.054	2	123.1260	0.432	5	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	122.7700	0.000	1	123.1260	0.432	5	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|H<1>}	123.8400	0.048	2	123.1260	0.432	5	122.2735	0.656	26	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|H<1>,2|N<2>,4|C<3>}	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>}	119.6890	0.182	3	119.6890	0.033	3	119.6890	0.033	3	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	126.9797	0.610	3	126.9797	0.372	3	126.9797	0.372	3	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	121.7460	0.000	1	121.7460	0.000	1	121.7460	0.000	1	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	119.1670	0.000	1	119.6520	0.470	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|H<1>}	120.1370	0.000	1	119.6520	0.470	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	119.1220	0.000	1	119.1220	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	120.4520	0.000	1	120.4520	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	120.7770	0.319	3	120.7770	0.101	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){2|C<3>}	121.6100	0.000	1	121.6100	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	121.1070	0.000	1	120.9150	0.070	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	121.0250	0.000	1	120.9150	0.070	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	120.6130	0.000	1	120.9150	0.070	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|S<2>}	120.9775	0.489	2	120.9472	0.086	4	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|Cl<1>,1|C<3>}	120.9170	0.130	2	120.9472	0.086	4	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<3>}	120.7740	0.000	1	120.7740	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	120.3040	0.000	1	120.3040	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	119.9310	0.068	2	119.9310	0.005	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	121.8240	0.000	1	121.8240	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	120.5880	0.000	1	120.5880	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	119.4240	0.146	3	119.4240	0.021	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	121.9115	0.798	8	121.9115	0.636	8	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	119.5890	0.000	1	119.5890	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	120.8400	0.000	1	121.7577	0.257	6	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	121.9412	0.262	5	121.7577	0.257	6	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	120.8040	0.000	1	120.8040	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	120.7480	0.000	1	120.8983	0.038	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	120.9735	0.203	2	120.8983	0.038	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	121.4990	0.000	1	121.4990	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	122.1220	0.000	1	122.1220	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	121.8780	0.410	3	121.8780	0.168	3	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	121.4670	0.000	1	120.9865	0.462	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	120.5060	0.000	1	120.9865	0.462	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	122.0650	0.000	1	122.0650	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	121.3740	0.000	1	121.3740	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	121.7303	0.328	6	121.7303	0.108	6	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	122.3355	0.030	2	122.3355	0.001	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	122.1160	0.000	1	122.1160	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N){1|C<3>,2|C<2>,2|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	122.5955	0.851	2	122.5955	0.724	2	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	121.8970	0.000	1	121.8970	0.000	1	121.2317	0.887	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	122.6890	0.000	1	122.6890	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	121.2765	0.523	2	121.2765	0.273	2	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	120.7730	0.000	1	120.7730	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	121.8748	0.520	12	121.9379	0.283	14	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	122.3165	0.606	2	121.9379	0.283	14	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	121.4425	0.083	2	121.4425	0.007	2	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	121.1330	0.000	1	121.1330	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	122.7360	0.000	1	122.7360	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	123.3580	0.000	1	123.3580	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	123.8865	0.022	2	123.8865	0.000	2	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	123.4775	0.064	2	123.4775	0.004	2	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	121.4400	0.502	4	121.4400	0.252	4	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	121.5380	0.000	1	121.5380	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	119.6950	0.000	1	119.6950	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	122.5490	0.000	1	122.5490	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	121.9520	0.000	1	121.6554	0.095	16	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	121.6357	0.308	15	121.6554	0.095	16	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	121.2410	0.000	1	121.2410	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	120.7020	0.293	2	121.0425	0.194	4	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	121.3830	0.177	2	121.0425	0.194	4	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	121.4483	0.292	3	121.4483	0.085	3	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	122.2230	0.000	1	122.2230	0.000	1	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	122.5480	0.632	2	122.3607	0.305	3	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	121.9860	0.000	1	122.3607	0.305	3	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	121.6245	0.405	2	121.6245	0.164	2	121.8176	0.615	64	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	119.7892	0.705	8	119.7134	0.368	11	119.7134	0.368	11	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	119.5145	0.189	2	119.7134	0.368	11	119.7134	0.368	11	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Br<1>,1|H<1>,3|C<3>}	119.5040	0.000	1	119.7134	0.368	11	119.7134	0.368	11	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	123.1935	0.213	4	123.1935	0.045	4	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|C<4>}	121.6015	0.327	2	121.5820	0.055	3	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	121.5430	0.000	1	121.5820	0.055	3	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	123.6588	0.849	6	123.6588	0.720	6	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	121.3775	0.745	2	121.3775	0.554	2	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS){1|C<3>,1|H<1>}	121.3690	0.052	4	121.3690	0.003	4	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	121.1900	0.000	1	121.1900	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	121.9850	0.000	1	121.1793	0.487	3	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	120.7765	0.019	2	121.1793	0.487	3	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5]){1|Br<1>,1|C<3>}	121.8390	0.000	1	121.8390	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	121.7460	0.000	1	121.7460	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	122.0500	0.000	1	122.0500	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	121.5340	0.000	1	121.5340	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NMoC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OMo)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NMoC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OMo){1|C<3>,1|H<1>}	124.8775	0.699	6	124.8775	0.488	6	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	125.6860	0.000	1	125.6860	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|Cl<1>,1|C<3>}	126.0310	0.000	1	126.0310	0.000	1	122.8738	2.609	35	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){1|C<3>,1|H<1>}	123.4165	0.396	4	123.4165	0.157	4	123.4165	0.157	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5]){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN){2|C<4>,3|C<3>}	121.0745	0.306	4	121.0745	0.094	4	121.0745	0.094	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,3|C<3>}	120.8447	0.143	3	120.8447	0.020	3	120.8447	0.020	3	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6]){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])(CN){2|C<4>,3|C<3>}	120.3240	0.062	2	120.3240	0.004	2	120.3240	0.004	2	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6]){2|C<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<3>,2|C<4>}	119.8590	0.000	1	119.8590	0.000	1	120.2705	1.940	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N){1|C<3>,2|C<2>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(CN){1|C<2>,2|C<4>,3|C<3>}	121.2380	1.208	2	121.2380	1.459	2	120.2705	1.940	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<2>,1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	118.7470	0.000	1	118.7470	0.000	1	120.2705	1.940	4	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)(NO){1|C<3>,2|C<4>}	119.0180	0.000	1	119.0180	0.000	1	120.2000	1.140	3	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])2(NO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]N[6])2(NO){1|C<3>,4|C<4>}	120.7910	0.429	2	120.7910	0.184	2	120.2000	1.140	3	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6]){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SRh2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(ORh)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SRh2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(ORh){1|C<3>,1|H<1>}	124.5170	0.887	2	124.5170	0.786	2	124.5170	0.786	2	121.6336	2.439	250	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO){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[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	125.0550	0.000	1	125.0550	0.000	1	125.0550	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	124.3910	0.000	1	124.3910	0.000	1	124.4540	0.008	2	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	124.5170	0.000	1	124.5170	0.000	1	124.4540	0.008	2	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	122.6690	0.000	1	122.6690	0.000	1	121.9122	1.235	12	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	122.7230	0.000	1	122.7230	0.000	1	121.9122	1.235	12	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	122.5060	0.028	2	122.5060	0.001	2	121.9122	1.235	12	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	122.9750	0.000	1	122.9750	0.000	1	121.9122	1.235	12	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	121.3669	1.186	7	121.3669	1.406	7	121.9122	1.235	12	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){2|H<1>,4|C<3>}	123.6525	0.112	2	123.6525	0.013	2	123.6525	0.013	2	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	118.5390	0.000	1	118.5390	0.000	1	121.9305	2.968	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH){1|C<3>,1|H<1>}	122.1285	0.391	2	122.1285	0.153	2	121.9305	2.968	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	122.9290	0.241	3	122.9290	0.058	3	121.9305	2.968	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	122.5960	0.187	3	122.5960	0.035	3	122.5960	0.035	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C[6a]-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	119.3980	0.000	1	119.9957	0.287	3	119.9957	0.287	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	120.2945	0.196	2	119.9957	0.287	3	119.9957	0.287	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.7850	0.000	1	122.7850	0.000	1	123.8632	0.495	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	123.5350	0.000	1	123.5350	0.000	1	123.8632	0.495	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[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[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	124.2100	0.000	1	124.2147	0.236	4	123.8632	0.495	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[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[3x6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	124.2163	0.595	3	124.2147	0.236	4	123.8632	0.495	6	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){3|H<1>,5|C<3>}	123.7105	0.122	2	123.7105	0.015	2	123.7105	0.015	2	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC){2|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.7490	0.000	1	122.7490	0.000	1	122.7490	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	121.6705	1.029	2	121.6705	1.059	2	121.6705	1.059	2	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	123.8400	0.000	1	123.8400	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	120.2090	0.000	1	120.2090	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	125.1170	0.325	2	125.1170	0.106	2	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>,1|H<1>}	125.9620	0.000	1	125.9620	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	120.4025	0.545	2	120.4025	0.297	2	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	121.7490	0.815	2	121.7490	0.664	2	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	122.8930	0.000	1	122.8930	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	124.5340	0.000	1	124.5340	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO){1|C<3>,1|H<1>}	121.7160	0.081	2	121.7160	0.006	2	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	122.0440	0.000	1	122.0440	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	122.6062	0.409	5	122.6062	0.167	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	122.1030	0.000	1	122.1030	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	123.0810	0.000	1	123.0810	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	120.3180	0.000	1	120.3180	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	122.0470	0.000	1	122.0470	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	120.5554	0.495	25	120.5554	0.245	25	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	122.0772	0.312	5	122.0772	0.097	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	122.3520	0.000	1	122.3520	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	122.6390	0.000	1	122.6390	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	122.2034	0.670	5	122.2034	0.449	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	123.5245	0.928	2	123.5245	0.862	2	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){1|C<3>,1|H<1>}	123.1240	0.296	2	122.1096	0.940	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	121.4333	0.347	3	122.1096	0.940	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	123.7730	0.000	1	123.7730	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	121.2748	0.618	57	121.2793	0.376	58	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	121.5390	0.000	1	121.2793	0.376	58	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]N[6a]N)2(COO){1|C<3>}	121.6690	0.000	1	121.6690	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	122.0550	0.000	1	122.0550	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	123.0730	0.000	1	123.0730	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	122.7960	0.000	1	122.7270	0.057	3	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	122.6925	0.327	2	122.7270	0.057	3	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)2(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	122.4130	0.000	1	122.4130	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	122.2570	0.000	1	122.2570	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	120.9640	0.000	1	120.9640	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO){1|H<1>,3|C<3>}	122.6930	0.000	1	122.6930	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	122.1075	0.090	2	121.5370	0.478	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	121.4805	0.436	2	121.5370	0.478	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	120.5090	0.000	1	121.5370	0.478	5	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>}	122.0840	0.000	1	122.0840	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<4>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,1|C<4>}	122.6270	0.000	1	122.6270	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO){1|C<3>}	120.7050	0.000	1	120.7050	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC){1|C<3>,1|H<1>}	126.8550	0.000	1	126.8550	0.000	1	121.6355	1.396	145	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	121.0935	0.209	2	121.0935	0.044	2	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,2|C<4>,3|C<3>}	124.0350	0.000	1	124.0350	0.000	1	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N){2|H<1>,3|C<3>}	122.4890	0.000	1	122.4890	0.000	1	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,2|H<1>,3|C<3>}	127.0570	0.000	1	127.0570	0.000	1	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	120.8023	0.567	3	120.8023	0.322	3	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N){2|H<1>,3|C<3>}	121.9928	0.208	4	121.9928	0.043	4	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){2|H<1>,3|C<3>}	121.9090	0.000	1	121.9090	0.000	1	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,5|C<3>}	121.4550	0.000	1	121.4550	0.000	1	122.1079	2.835	14	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	121.7600	0.000	1	121.7600	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	120.2690	0.000	1	120.2690	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){1|H<1>,3|C<3>}	119.9640	0.000	1	119.9640	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	118.8605	0.110	2	118.8605	0.012	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|N<3>}	119.7950	0.287	3	119.7950	0.082	3	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	119.7240	0.560	2	119.7240	0.314	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	121.3960	0.000	1	121.3960	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	121.9510	0.129	2	121.9510	0.017	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	120.6480	0.000	1	120.2665	0.291	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	119.8850	0.000	1	120.2665	0.291	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	120.1255	0.207	2	120.1255	0.043	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){4|C<3>}	118.7780	0.000	1	118.7780	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	122.5500	0.000	1	122.5500	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	119.2873	0.338	9	119.2873	0.114	9	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	120.0635	0.392	2	120.0635	0.154	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	119.5625	0.585	2	119.5625	0.342	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	120.3383	0.197	3	120.3383	0.039	3	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCuC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCuC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCuC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCuC){1|C<3>,1|H<1>}	120.7890	0.249	2	120.7890	0.062	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NFeC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NFeC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NFeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NFeC){1|Br<1>,1|C<3>}	124.0240	0.000	1	124.0240	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)2(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|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[6a](C[6a]N[6a]N)2(NCC){1|C<3>}	121.0505	1.434	4	121.0505	2.056	4	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|C<3>,1|H<1>}	121.9520	0.000	1	122.2145	0.138	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|Cl<1>,1|C<3>}	122.4770	0.000	1	122.2145	0.138	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	119.0177	0.540	3	118.8508	0.306	4	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	118.3500	0.000	1	118.8508	0.306	4	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS){1|C<3>,1|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	122.5180	0.187	2	122.5180	0.035	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	119.6745	0.158	2	119.6745	0.025	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO){1|C<3>,1|C<4>}	121.5790	0.000	1	121.5790	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	122.3680	1.083	2	122.3680	1.174	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	118.4540	0.000	1	118.4540	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	119.7990	0.197	2	119.7990	0.039	2	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NMnC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NMnC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NMnC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NMnC){1|Br<1>,1|C<3>}	122.6050	0.000	1	122.6050	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NNiC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NNiC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NNiC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NNiC){1|C<3>,1|H<1>}	124.3650	0.000	1	124.3650	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NZnC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NZnC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NZnC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NZnC){1|C<3>,1|H<1>}	123.0020	0.000	1	123.0020	0.000	1	120.4550	2.098	62	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	125.6890	0.000	1	125.6890	0.000	1	125.6890	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	122.4850	0.000	1	122.4850	0.000	1	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>}	122.3320	0.000	1	122.3320	0.000	1	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CHO){1|C<3>,2|C<4>}	120.5847	0.190	3	120.5847	0.036	3	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	122.4430	0.000	1	122.4430	0.000	1	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	121.5040	0.000	1	121.5040	0.000	1	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])2(CCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])2(CCH){1|C<3>,4|C<4>}	120.6490	0.319	4	120.6490	0.101	4	121.1922	0.730	11	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6]C[6]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]N[6a]S){2|C<4>,2|H<1>,3|C<3>}	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	122.8110	0.000	1	122.6275	0.067	2	120.9970	8.009	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	122.4440	0.000	1	122.6275	0.067	2	120.9970	8.009	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>}	117.7360	0.000	1	117.7360	0.000	1	120.9970	8.009	3	121.5328	2.254	283	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]C)(CCHH)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]C)(CCHH){1|S<2>,3|C<3>}	123.8920	0.000	1	123.8920	0.000	1	123.8920	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	123.1365	0.571	2	123.1365	0.326	2	123.1365	0.326	2	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3){1|N<3>,3|C<3>}	125.8350	0.000	1	125.8350	0.000	1	125.1443	0.411	3	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO){1|H<1>,2|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	124.7990	0.327	2	124.7990	0.107	2	125.1443	0.411	3	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	122.6600	0.000	1	122.6600	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	123.5010	0.000	1	123.5010	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	124.0980	0.000	1	124.0980	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	122.9800	0.000	1	122.9800	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CF3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CF3){1|C<3>,1|H<1>}	122.5230	0.000	1	122.5230	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	123.1820	0.000	1	123.1820	0.000	1	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	121.5930	0.000	2	121.5930	0.000	2	122.7662	0.765	8	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.8750	0.000	1	122.8750	0.000	1	122.8750	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	123.5190	0.000	1	123.5190	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	123.0720	0.000	1	123.0720	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	121.9250	0.000	1	121.9250	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO){1|C<3>,1|C<4>}	120.6160	0.000	1	120.6160	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	124.6173	1.001	3	124.1236	0.978	5	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	123.3830	0.276	2	124.1236	0.978	5	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	123.0800	0.000	1	123.0800	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	121.5305	0.054	2	121.5305	0.003	2	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	122.4980	0.000	1	122.4980	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	123.2740	0.000	1	123.2740	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	121.9820	0.000	1	121.9820	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	125.1910	0.000	1	125.1910	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	125.1960	0.000	1	125.1960	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]N)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	122.9090	1.434	2	122.9090	2.056	2	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	121.0817	0.034	3	121.0817	0.001	3	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>}	122.1210	0.000	1	122.1740	0.006	2	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	122.2270	0.000	1	122.1740	0.006	2	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	121.6817	0.414	4	121.6817	0.171	4	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	121.7070	0.000	1	121.7070	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3){1|H<1>,3|C<3>}	124.5810	0.000	1	124.5810	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	122.3288	0.217	5	122.3288	0.047	5	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS){1|C<2>,1|C<3>}	122.5110	0.044	4	122.5110	0.002	4	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	122.9080	0.000	1	122.9080	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN){1|C<3>,1|H<1>}	121.8760	0.000	1	121.8760	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH){1|C<3>}	121.0798	0.823	4	121.0798	0.677	4	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	121.8770	0.190	5	121.8770	0.036	5	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	123.7110	0.000	1	123.7110	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	122.9450	0.000	1	122.9450	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH){3|C<3>}	122.4540	0.000	1	122.4540	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	124.1160	0.437	2	124.1160	0.191	2	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NLiTi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NLiTi){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	121.5010	0.000	1	121.5010	0.000	1	122.4907	1.416	56	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	125.0340	0.000	1	125.0340	0.000	1	125.0340	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	125.7429	0.545	7	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	126.5470	0.000	1	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	125.6130	0.000	1	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	126.0680	0.105	2	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	126.3180	0.212	3	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	125.9160	0.000	1	125.9577	0.221	15	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])2{2|C<4>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	125.6070	0.634	2	125.6070	0.401	2	125.9165	0.232	17	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(SC[6a]OO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(SC[6a]OO){1|C<4>,3|C<3>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(N[6]C[6]2){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6]){1|C<3>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3){1|C<3>,2|H<1>,4|C<4>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	123.3757	0.600	4	123.3757	0.360	4	123.3757	0.360	4	123.3004	2.752	97	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:3:	3:3:	4:2:3:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>}	120.0875	0.149	2	120.0875	0.022	2	120.2136	0.103	7	120.2136	0.103	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	120.2780	0.403	3	120.2640	0.138	5	120.2136	0.103	7	120.2136	0.103	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	120.2430	0.477	2	120.2640	0.138	5	120.2136	0.103	7	120.2136	0.103	7	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<2>,1|N<2>}	121.7140	0.000	1	121.9200	0.085	2	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|I<1>,1|N<2>}	122.1260	0.000	1	121.9200	0.085	2	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|N<2>,1|O<2>}	122.0147	0.339	4	122.0147	0.115	4	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<4>,1|N<2>}	123.0075	0.142	2	123.0075	0.020	2	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|N<2>,1|S<2>}	122.0040	0.000	1	122.0040	0.000	1	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<4>,1|N<2>}	122.0657	0.334	3	122.1630	0.074	5	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|H<1>,1|N<2>}	122.3090	0.064	2	122.1630	0.074	5	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Cl<1>,1|N<2>}	122.4400	0.000	1	122.4400	0.000	1	122.2115	0.175	15	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	122.4720	0.000	1	122.0080	0.340	3	122.7850	0.658	7	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	121.7760	0.598	2	122.0080	0.340	3	122.7850	0.658	7	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|S<2>}	123.1380	0.000	1	123.1380	0.000	1	122.7850	0.658	7	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	123.4840	0.123	2	123.4840	0.015	2	122.7850	0.658	7	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<2>}	123.3650	0.000	1	123.3650	0.000	1	122.7850	0.658	7	122.3940	0.379	22	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H){1|C<3>,1|N<2>}	124.3290	0.000	1	124.3290	0.000	1	124.3290	0.000	1	124.3290	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:2:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|Cl<1>,1|N<2>}	122.5135	0.035	2	122.5135	0.001	2	122.5135	0.001	2	122.5135	0.001	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3){4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<3>,2|H<1>,3|C<3>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.9823	0.867	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CF3){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	123.1695	0.060	2	123.1695	0.004	2	122.1304	0.919	5	121.9823	0.867	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	121.4870	0.000	1	121.4870	0.000	1	122.1304	0.919	5	121.9823	0.867	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	2:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	121.4130	0.266	2	121.4130	0.071	2	122.1304	0.919	5	121.9823	0.867	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	121.5045	0.194	2	121.5045	0.038	2	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	119.7030	0.000	1	119.7030	0.000	1	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	120.3847	0.273	6	119.7348	0.373	26	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	119.5390	0.561	19	119.7348	0.373	26	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	119.5550	0.000	1	119.7348	0.373	26	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	120.4515	0.009	2	120.4515	0.000	2	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|C<4>}	119.3830	0.000	1	119.5095	0.882	16	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.4882	0.631	6	119.5095	0.882	16	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){2|C<3>}	118.8711	0.476	9	119.5095	0.882	16	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.8461	0.687	15	120.8461	0.472	15	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	120.7420	0.145	3	120.7420	0.021	3	120.0583	0.814	65	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O){2|N<3>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	124.1680	0.000	1	124.1680	0.000	1	123.8090	0.141	3	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	123.6295	0.298	2	123.6295	0.089	2	123.8090	0.141	3	120.2762	1.441	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC){1|C<3>,1|C<4>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	121.1670	0.000	1	121.1670	0.000	1	119.7131	1.109	8	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	119.9837	0.221	3	119.9837	0.049	3	119.7131	1.109	8	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	120.8590	0.000	1	120.8590	0.000	1	119.7131	1.109	8	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	118.7270	0.000	2	118.7270	0.000	2	119.7131	1.109	8	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	118.2740	0.000	1	118.2740	0.000	1	119.7131	1.109	8	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|O<1>,3|C<4>}	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]2Fe){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	119.6755	0.966	10	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	121.4760	0.519	4	121.4760	0.269	4	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH){1|C<3>}	119.3750	0.132	2	119.3750	0.017	2	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	121.4770	0.000	1	121.4770	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|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[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	121.2880	0.000	2	121.2880	0.000	2	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	120.3220	0.000	1	120.3220	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	120.7050	0.000	2	120.5356	0.307	9	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	120.4871	0.630	7	120.5356	0.307	9	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	120.7310	0.000	1	120.7310	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	121.3547	0.150	4	120.3083	0.337	366	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	120.2930	0.574	359	120.3083	0.337	366	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	120.7440	0.171	3	120.3083	0.337	366	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	119.5370	0.000	1	119.5370	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	119.8510	0.321	2	119.9863	0.106	3	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	120.2570	0.000	1	119.9863	0.106	3	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	119.4370	0.000	1	119.4370	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	121.0092	0.357	4	121.0092	0.128	4	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	120.9630	0.188	2	120.9630	0.035	2	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	120.8621	0.441	14	120.8621	0.195	14	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	121.5330	0.000	1	121.5330	0.000	1	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CSnHP){1|C<3>,1|H<1>}	120.7695	0.677	2	120.7695	0.458	2	120.3562	0.365	414	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P-4:	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu)	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>}	C[6a](C[6a]N[6a]P)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|H<1>}	121.4377	0.331	3	121.4377	0.109	3	121.4377	0.109	3	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:P[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:P[5]-4:	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5])	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh)	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh){2|H<1>,4|C<3>,4|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P[5]){1|Rh<4>,1|H<1>,1|N<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]P[5])(N[6a]C[6a,6a])(P[5]C[5]2Rh){2|H<1>,4|C<3>,4|C<4>}	123.6520	2.260	2	123.6520	5.107	2	123.6520	5.107	2	120.3797	0.433	419	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:As-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O){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>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	124.5447	0.551	3	124.5447	0.304	3	124.5447	0.304	3	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|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[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	122.6360	0.000	1	122.6360	0.000	1	122.7035	0.058	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	123.0090	0.000	1	123.0090	0.000	1	122.7035	0.058	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|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[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	122.5845	0.216	2	122.5845	0.047	2	122.7035	0.058	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.0710	0.000	1	122.0710	0.000	1	121.9780	0.058	5	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	121.9548	0.273	4	121.9548	0.074	4	121.9780	0.058	5	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(Br){1|C<3>}	119.7640	0.000	1	119.7640	0.000	1	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	119.4600	0.000	1	119.4600	0.000	1	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	120.6220	0.000	1	120.3170	0.186	2	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|Br<1>,1|C<3>}	120.0120	0.000	1	120.3170	0.186	2	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br){1|C<3>}	120.5000	0.000	1	120.5000	0.000	1	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(Br){1|C<3>,1|H<1>}	122.3190	0.311	2	122.3190	0.097	2	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(Br){1|C<3>,2|C<4>}	121.6970	0.000	1	121.6970	0.000	1	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Br){1|C<3>,1|H<1>}	121.4150	0.000	1	121.4150	0.000	1	120.9009	1.177	9	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	120.2830	0.000	1	120.3165	0.002	2	120.3508	0.261	12	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	120.3500	0.000	1	120.3165	0.002	2	120.3508	0.261	12	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl){1|C<3>}	120.3576	0.564	10	120.3576	0.318	10	120.3508	0.261	12	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(F){1|C<3>}	118.0380	0.000	1	118.0380	0.000	1	119.7287	2.914	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(F){1|C<3>,1|H<1>}	122.1030	0.000	1	122.1030	0.000	1	119.7287	2.914	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(F){1|C<3>,1|H<1>}	119.4700	0.000	1	119.4700	0.000	1	119.7287	2.914	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|F<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F){1|C<3>}	119.3040	0.000	1	119.3040	0.000	1	119.7287	2.914	4	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2090	0.000	1	123.2090	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2370	0.000	1	123.2370	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1680	0.041	2	123.3260	0.076	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6420	0.000	1	123.3260	0.076	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0783	0.382	3	123.0783	0.146	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3910	0.000	1	123.3910	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.8370	0.431	2	120.8370	0.186	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3000	0.610	11	122.2167	0.422	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.3000	0.000	1	122.2167	0.422	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8770	0.540	2	121.8770	0.292	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	121.9680	0.000	1	121.9680	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.0640	0.000	1	121.0640	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Ir<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Ir<8>,1|C<3>}	120.9790	0.000	1	120.7515	0.104	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Rh<8>,1|C<3>}	120.5240	0.000	1	120.7515	0.104	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3500	0.000	1	122.3500	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5450	0.000	1	122.5450	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	122.6097	0.339	3	122.3371	0.424	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1736	0.771	5	122.3371	0.424	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2065	0.945	2	121.2065	0.894	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1530	0.000	1	121.1530	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1854	0.690	7	121.1854	0.476	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9293	0.603	3	121.9293	0.364	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	121.3290	0.252	2	121.3290	0.063	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9438	0.651	19	121.9438	0.424	19	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	121.3510	0.000	1	122.0087	0.360	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.1480	0.000	1	122.0087	0.360	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.5270	0.000	1	122.0087	0.360	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.6813	0.955	4	120.6813	0.911	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7740	0.450	3	121.7740	0.203	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	121.1223	0.314	3	121.7120	0.449	114	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7279	0.670	111	121.7120	0.449	114	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0320	0.000	1	123.0320	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	121.8825	0.334	2	121.8825	0.112	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1304	1.008	34	122.1304	1.016	34	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0350	0.000	1	122.0350	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.4620	0.000	1	120.9120	0.405	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.3620	0.000	1	120.9120	0.405	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.6820	1.228	4	121.6820	1.508	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	121.2120	0.320	2	121.2120	0.102	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.4650	0.000	1	121.4650	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1261	0.499	13	122.1261	0.249	13	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2370	0.047	2	122.2370	0.002	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3992	0.427	6	122.3992	0.182	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1500	0.829	2	123.1500	0.687	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8580	0.000	1	122.8580	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0845	0.117	2	124.0845	0.014	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2772	0.312	6	122.2772	0.098	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3480	0.000	1	122.3480	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	124.6040	0.000	1	122.3864	0.853	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1646	0.589	10	122.3864	0.853	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8880	0.000	1	122.8880	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5343	0.308	4	122.5343	0.095	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3337	0.323	3	122.3337	0.104	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]Os2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]Os2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0000	0.000	1	122.0000	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6970	0.000	1	121.6970	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7430	0.547	7	121.7430	0.299	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0175	0.218	2	122.0175	0.048	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9380	0.000	1	121.9380	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2565	1.351	2	122.2565	1.826	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6789	0.592	8	122.6789	0.351	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4939	0.371	11	122.4939	0.138	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9822	0.238	4	121.9822	0.057	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4345	0.105	2	122.4345	0.011	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0195	0.633	2	122.0195	0.401	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	121.5860	0.000	1	121.5860	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8148	0.473	4	122.8148	0.224	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0546	0.194	5	122.0546	0.038	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7790	0.000	1	121.7790	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2885	0.402	6	122.2885	0.161	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8690	0.000	1	122.8690	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2Ir)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2Ir){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.7300	0.000	1	120.7300	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3561	0.288	9	122.3561	0.083	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7685	0.162	2	122.7685	0.026	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4124	0.414	25	122.4124	0.171	25	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2540	0.000	1	122.2540	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2240	0.000	1	122.2240	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3879	0.725	12	122.3879	0.525	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9491	0.887	8	122.0151	0.727	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.5430	0.000	1	122.0151	0.727	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1140	0.000	1	121.1140	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3920	0.451	2	122.3920	0.204	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]FF){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	123.9260	0.000	1	123.9260	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	121.8605	0.254	2	121.8605	0.064	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0637	0.555	3	123.0637	0.308	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2170	0.000	1	121.2170	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8505	0.463	4	121.8505	0.215	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	121.0420	0.000	1	121.0420	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8683	0.610	6	121.8649	0.278	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8580	0.425	3	121.8649	0.278	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8050	0.000	1	122.8050	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1042	0.506	5	123.1042	0.256	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3334	0.352	7	122.3334	0.124	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2420	0.000	1	123.2420	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1895	0.264	2	123.1895	0.070	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|O<2>,3|C<3>}	124.9900	0.000	1	124.9900	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){2|C<3>}	124.2137	0.316	3	124.2137	0.100	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.8620	0.209	2	124.8620	0.044	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	124.0300	0.000	1	124.0300	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>}	122.6510	0.697	2	123.0167	0.526	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|Ir<6>,1|N<3>,2|C<3>}	123.0898	0.743	10	123.0167	0.526	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	126.1110	0.000	1	126.1110	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]C)(H){1|S<2>,2|C<3>}	124.4810	0.000	1	124.4810	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CF3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.6680	0.000	1	124.6680	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	124.0740	0.000	1	124.0740	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFeCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFeCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1073	0.572	6	122.1073	0.327	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7830	1.331	2	122.7830	1.771	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1460	0.000	1	121.9526	0.079	20	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9424	0.285	19	121.9526	0.079	20	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	122.7060	0.000	1	122.3295	0.284	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	121.9530	0.000	1	122.3295	0.284	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.3200	0.000	1	122.3200	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1610	0.000	1	122.1610	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	121.0893	0.156	3	121.6792	0.254	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9578	0.318	5	121.6792	0.254	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0560	0.000	1	121.6792	0.254	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1330	0.089	2	121.2091	0.814	15	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2208	0.974	13	121.2091	0.814	15	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	119.9350	0.000	1	119.9350	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.3015	0.256	6	122.3015	0.066	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.1975	2.025	4	120.5148	3.580	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.7840	0.000	1	120.5148	3.580	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	121.6880	0.000	1	121.6880	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	120.4370	0.000	1	120.9456	2.426	38	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<3>}	120.2613	0.691	3	120.9456	2.426	38	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.1913	1.888	11	120.9456	2.426	38	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.4177	1.350	23	120.9456	2.426	38	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	122.1765	0.486	2	122.1765	0.236	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0070	0.000	1	122.0070	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	120.7570	0.099	3	120.7570	0.010	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3757	0.527	7	122.2501	0.364	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){2|C<3>}	121.3710	0.000	1	122.2501	0.364	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0928	0.487	19	121.8163	0.622	73	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Pd<4>,1|C<3>}	117.1130	0.000	1	121.8163	0.622	73	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	120.0110	0.000	1	121.8163	0.622	73	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8409	0.523	51	121.8163	0.622	73	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8170	0.000	1	121.8163	0.622	73	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	122.5800	0.000	1	122.5800	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	119.9075	0.538	2	120.4733	1.105	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	121.6050	0.000	1	120.4733	1.105	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2840	0.115	4	122.1617	0.209	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1006	0.556	8	122.1617	0.209	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<2>,1|C<3>}	122.2964	0.468	8	122.2964	0.219	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.1125	0.619	2	121.2980	0.152	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2420	0.000	1	121.2980	0.152	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5115	0.247	2	121.2980	0.152	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	121.2365	0.357	4	121.2365	0.127	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	122.5910	0.213	4	122.5910	0.045	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	121.4949	0.700	11	121.4949	0.490	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	120.9757	0.435	73	120.9686	0.256	91	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	121.4310	1.213	4	120.9686	0.256	91	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	120.7995	0.536	14	120.9686	0.256	91	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	121.9800	0.000	1	123.4749	0.490	10	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.6410	0.491	9	123.4749	0.490	10	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.3415	0.411	2	121.1642	0.363	186	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.1695	0.614	174	121.1642	0.363	186	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.0371	0.410	10	121.1642	0.363	186	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	121.5600	0.000	1	121.5600	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(H){3|C<3>}	121.7440	0.000	1	121.7440	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>}	121.5796	0.259	8	121.5796	0.067	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	122.8170	0.000	1	122.8170	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	122.9800	0.000	1	122.9800	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>,1|C<4>}	123.5520	0.000	1	122.9897	0.419	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>,1|H<1>}	123.0305	0.732	2	122.9897	0.419	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C)2(H){2|C<3>}	122.8287	0.720	4	122.9897	0.419	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>}	124.0960	0.000	1	124.0960	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.9552	0.442	32	120.9432	0.187	34	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.7515	0.172	2	120.9432	0.187	34	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.4055	0.294	6	122.4055	0.086	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3597	0.396	6	120.6665	1.343	46	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.3594	0.966	39	120.6665	1.343	46	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	122.4860	0.000	1	120.6665	1.343	46	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	122.3020	0.399	2	122.3020	0.159	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8200	0.000	1	121.5328	0.709	65	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	120.1730	0.000	1	121.5328	0.709	65	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5516	0.866	56	121.5328	0.709	65	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7202	0.378	6	121.5328	0.709	65	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	120.4330	0.000	1	121.5328	0.709	65	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	120.8300	0.000	1	121.8670	0.807	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3855	0.006	2	121.8670	0.807	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|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[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.3325	1.882	2	120.3325	3.540	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.3800	0.000	1	121.5369	0.280	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0140	0.000	1	121.5369	0.280	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5013	0.564	9	121.5369	0.280	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0360	0.000	1	122.0360	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	121.1025	0.684	2	121.1025	0.468	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8690	0.174	2	122.1890	0.706	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){2|As<3>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5090	0.486	2	122.1890	0.706	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0720	0.000	1	122.0720	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8130	0.000	1	121.8130	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8770	0.335	4	121.8770	0.112	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5590	0.000	1	121.5590	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.7556	0.124	5	120.7610	0.010	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.7677	0.076	4	120.7610	0.010	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Sb)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sb<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sb)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6803	1.056	6	121.6803	1.116	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5807	0.657	4	121.5807	0.432	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sn<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.3800	0.379	3	121.3800	0.143	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	123.3090	0.000	1	123.3090	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.0203	0.481	4	120.8351	0.151	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.6500	0.172	4	120.8351	0.151	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2082	0.264	5	122.2082	0.070	5	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.2987	0.496	8	121.2987	0.246	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.6010	0.694	2	120.6010	0.482	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	122.0230	0.000	1	122.0230	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<2>,1|C<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	121.3470	0.000	1	121.3470	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.8780	0.473	4	120.8780	0.224	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	122.9560	0.000	1	122.9560	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	121.1190	0.000	1	121.1190	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Se<2>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)2(H){1|C<3>}	120.6420	0.471	2	120.6420	0.222	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9190	0.000	1	121.9650	0.004	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0110	0.000	1	121.9650	0.004	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.7020	0.365	5	122.7883	0.998	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0268	0.599	6	122.7883	0.998	11	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2543	0.032	3	122.2543	0.001	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1790	0.000	1	122.1790	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2508	0.880	323	122.2508	0.775	323	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9695	0.340	2	122.3968	0.277	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2331	0.457	7	122.3968	0.277	9	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(H){1|C<3>}	120.8197	0.152	4	120.8197	0.023	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0770	0.392	2	123.0770	0.153	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6872	0.450	6	122.5122	0.430	119	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5854	0.594	84	122.5122	0.430	119	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2639	0.803	29	122.5122	0.430	119	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.1467	0.543	3	123.1467	0.295	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3760	0.000	1	122.3760	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6320	0.000	1	121.6320	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7128	0.143	6	122.7128	0.020	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7338	0.206	4	122.7338	0.042	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|Br<1>,1|C<3>}	121.6040	0.000	1	122.3623	0.803	27	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3914	0.901	26	122.3623	0.803	27	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7107	0.499	3	122.7107	0.249	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|N<3>,1|O<1>,1|S<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	124.0160	0.000	1	124.0160	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6288	0.516	47	122.6218	0.250	51	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5397	0.264	4	122.6218	0.250	51	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.1540	0.000	1	122.1540	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	123.0200	0.000	1	123.0200	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.5800	0.000	1	121.5800	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2510	0.059	2	122.2510	0.004	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9396	1.582	15	121.9396	2.502	15	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.4220	0.000	1	123.4220	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6419	0.390	24	122.6419	0.152	24	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	122.8240	0.074	2	122.9148	0.259	13	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9313	0.555	11	122.9148	0.259	13	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	123.0735	0.207	2	123.0735	0.043	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2190	0.129	2	123.2190	0.017	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4283	0.383	26	122.4283	0.147	26	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9500	0.560	2	122.9500	0.314	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3885	0.479	8	122.3885	0.229	8	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){2|C<3>}	122.8140	0.000	1	122.8140	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3310	0.004	2	123.3310	0.000	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4680	0.000	1	122.4680	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5445	0.013	2	122.5445	0.000	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CLiNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CLiNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0990	0.000	1	122.0990	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|C<4>}	123.9880	0.000	1	123.9880	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0163	0.280	3	123.0163	0.079	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6990	0.216	4	123.6990	0.047	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2396	0.238	5	123.2467	0.038	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2645	0.046	2	123.2467	0.038	7	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9309	0.704	49	122.9309	0.496	49	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0740	0.000	1	123.0740	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3190	0.692	2	122.3190	0.478	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8988	0.715	13	122.8988	0.511	13	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.9280	0.000	1	123.9280	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7860	0.000	1	122.7860	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.3803	0.130	6	123.3803	0.017	6	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2100	0.000	1	122.2100	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5687	1.013	32	122.5687	1.027	32	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7480	0.000	1	122.7480	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5147	0.456	12	122.5147	0.208	12	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3220	0.000	1	122.3220	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0507	1.225	3	123.0507	1.501	3	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2280	0.000	1	122.2280	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5730	0.341	10	122.5730	0.116	10	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.5960	0.000	1	123.5960	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7870	0.366	10	122.7870	0.134	10	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6810	0.000	1	122.6810	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4020	0.000	1	122.4020	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.9630	0.000	1	122.9630	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7945	0.156	2	122.7945	0.024	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.0135	4.035	2	120.0135	16.285	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPtHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.2450	0.000	1	122.2450	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.4895	0.139	2	122.4895	0.019	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CRuHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6670	0.000	1	121.6670	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0860	0.000	1	123.0860	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6317	1.016	4	122.6317	1.032	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.0100	0.000	1	121.0100	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	119.7750	0.187	2	119.7750	0.035	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9085	0.204	2	121.9085	0.042	2	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.3402	0.265	4	122.3402	0.070	4	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSn2P)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSn2P){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	120.5420	0.000	1	120.5420	0.000	1	121.9914	1.000	2129	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	120.5030	0.000	1	120.5030	0.000	1	120.5030	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	123.4620	0.000	1	123.4620	0.000	1	123.1125	0.244	2	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	122.7630	0.000	1	122.7630	0.000	1	123.1125	0.244	2	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3){1|O<2>,2|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[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|N<3>,1|O<1>}	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]GeLi)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]GeLi){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.0410	0.000	1	121.0410	0.000	1	120.5499	4.124	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.9830	1.194	2	121.9830	1.425	2	120.5499	4.124	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCuCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.6475	0.254	2	121.6475	0.064	2	120.5499	4.124	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	117.0390	0.000	1	117.0390	0.000	1	120.5499	4.124	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	118.5080	0.000	1	118.5080	0.000	1	120.5499	4.124	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	124.0500	0.000	1	124.0500	0.000	1	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2Cu){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.3705	0.281	4	123.3705	0.079	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.8167	0.299	3	123.8167	0.090	3	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]IrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]IrC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.7280	0.000	1	123.7280	0.000	1	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ag)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ag){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.8220	1.495	13	121.8220	2.235	13	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Au)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Au){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.5830	2.158	2	122.5830	4.657	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.3130	1.395	3	122.3130	1.945	3	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.5245	0.265	2	121.5245	0.070	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2075	0.260	2	123.2075	0.067	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.0609	1.127	7	121.0609	1.271	7	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.7498	0.514	4	121.7498	0.264	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe)	N[6a](C[6a]C[6a]P)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Fe){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]P)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.5250	0.303	2	122.5250	0.092	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Mo)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Mo){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2297	0.091	3	123.2297	0.008	3	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.5340	0.231	3	123.5340	0.053	3	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]P)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]P)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.1620	0.264	2	123.1620	0.070	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pd)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pd){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.4009	0.778	8	121.4009	0.606	8	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.0540	0.849	2	123.0540	0.720	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Pt){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	124.1250	0.000	2	124.1250	0.000	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Re)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Re){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2255	0.438	2	123.2255	0.192	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Rh)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Rh){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.0840	0.103	2	122.0840	0.011	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.4930	0.000	1	122.4930	0.000	1	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.3477	0.254	3	122.3477	0.065	3	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Ru){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.0110	0.000	1	123.0110	0.000	1	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2430	0.000	1	123.2430	0.000	1	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2W)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2W){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.8017	0.290	6	122.8017	0.084	6	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.2055	0.208	4	123.2055	0.043	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]IrC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]IrC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.3770	0.098	2	123.3770	0.010	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]NiC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]NiC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.2116	0.323	7	122.2116	0.104	7	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PdC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PdC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.8612	0.241	4	123.8612	0.058	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PtC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]PtC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.6857	0.489	4	123.6857	0.239	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PIrCC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PIrCC){1|H<1>,2|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[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	121.0690	0.395	2	121.0690	0.156	2	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	124.5352	1.212	4	124.5352	1.468	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PNiCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	122.8760	0.450	4	122.8760	0.202	4	122.6114	1.419	111	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	125.3710	0.000	1	125.3710	0.000	1	125.3710	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.7064	0.450	7	125.7064	0.203	7	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](C[6a]N[6a]S)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|H<1>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]S)2(H){1|C<3>}	124.8923	1.056	8	124.8923	1.115	8	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.3780	1.113	2	125.3780	1.239	2	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.5245	0.196	2	125.5245	0.038	2	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	124.0190	0.286	2	124.5290	0.853	8	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	124.6990	1.020	6	124.5290	0.853	8	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	124.2390	0.255	2	124.2390	0.065	2	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.1940	0.503	6	125.1940	0.253	6	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.5870	0.000	1	125.5870	0.000	1	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	125.8120	0.556	5	125.8120	0.309	5	125.1563	0.726	41	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.0770	0.000	1	126.0770	0.000	1	126.0770	0.000	1	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si)	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	120.0630	0.000	1	120.0630	0.000	1	121.2559	0.399	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H){2|C<3>}	121.0140	0.000	1	121.0140	0.000	1	121.2559	0.399	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si)	C[6a](C[6a]N[6a]Si)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]Si)(C[6a]N[6a]H)(H){1|C<3>}	121.1620	0.000	1	121.1620	0.000	1	121.2559	0.399	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si)	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	121.1650	0.000	1	121.1650	0.000	1	121.2559	0.399	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	121.7957	0.110	3	121.7957	0.012	3	121.2559	0.399	7	122.0617	1.257	2341	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(OFe)	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(OFe){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]H)(CN){1|C<3>}	119.7430	0.122	2	119.7430	0.015	2	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	123.1950	0.000	1	123.1950	0.000	1	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	120.6430	0.208	3	120.6430	0.043	3	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CN){1|C<3>,1|H<1>}	121.8270	0.000	1	121.8270	0.000	1	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CN){1|C<3>}	120.9703	0.240	3	120.9703	0.058	3	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	121.2920	0.000	1	121.2920	0.000	1	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN){1|C<3>,1|H<1>}	121.5280	0.000	1	121.5280	0.000	1	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(CN){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	123.3590	0.000	1	123.3590	0.000	1	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	121.6550	0.062	2	121.3987	0.043	6	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	121.3740	0.000	1	121.3987	0.043	6	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	121.2360	0.021	3	121.3987	0.043	6	121.2589	0.838	19	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3720	0.000	1	120.3407	0.146	3	120.3407	0.146	3	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.9440	0.000	1	120.3407	0.146	3	120.3407	0.146	3	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	120.7060	0.000	1	120.3407	0.146	3	120.3407	0.146	3	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	120.6340	0.000	1	120.6340	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	121.0630	0.000	1	121.0630	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	121.3320	0.168	2	121.3320	0.028	2	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<3>,1|C<4>}	120.2360	0.000	1	120.2360	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OCo)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OCo){1|C<3>,1|C<4>}	119.3660	0.000	1	119.3660	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OCu)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OCu){1|C<3>,1|C<4>}	119.3700	0.000	1	119.3700	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OFe)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OFe){1|C<3>,1|C<4>}	122.4760	0.000	1	122.4760	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	121.7610	0.000	1	121.4345	0.127	6	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	121.3692	0.357	5	121.4345	0.127	6	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OMn)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OMn){1|C<3>,1|C<4>}	121.7270	0.221	2	121.7270	0.049	2	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OMo)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OMo){1|C<3>,1|C<4>}	121.0900	0.000	1	121.0900	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(OMo)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C)(OMo){1|C<3>,1|C<4>,2|N<3>}	121.6910	0.000	1	121.6910	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	121.4100	0.000	1	121.3595	0.005	2	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	121.3090	0.000	1	121.3595	0.005	2	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OC){1|C<2>,1|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a]){1|C<3>,1|H<1>}	120.8640	0.000	1	120.8640	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	121.5250	0.000	1	121.5250	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	121.2390	0.000	1	121.2390	0.000	1	121.1995	0.527	24	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(SC[5a])	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(SC[5a]){1|C<2>,3|C<3>}	122.2600	0.146	2	122.2600	0.021	2	123.0228	0.371	6	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(SC)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(SC){1|C<3>,1|H<1>}	123.4043	0.172	4	123.4043	0.030	4	123.0228	0.371	6	121.3725	0.963	53	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]N[6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3){1|C<4>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.4807	0.101	3	122.4807	0.010	3	122.4807	0.010	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5735	0.742	4	121.5735	0.550	4	121.5735	0.550	4	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.8380	0.000	1	121.8380	0.000	1	121.5245	0.197	2	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|N<2>,3|C<3>}	121.2110	0.000	1	121.2110	0.000	1	121.5245	0.197	2	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO){1|O<1>,3|C<3>}	125.1100	0.000	1	125.1100	0.000	1	123.1327	2.957	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO){1|O<1>,3|C<3>}	122.1440	0.221	2	122.1440	0.049	2	123.1327	2.957	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]C){2|H<1>,3|C<3>}	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	122.4730	0.000	1	122.4730	0.000	1	122.7720	0.191	7	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCO){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	121.9310	0.000	1	121.9310	0.000	1	122.7720	0.191	7	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	122.8950	0.000	1	122.8950	0.000	1	122.7720	0.191	7	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]C){3|H<1>,5|C<3>}	123.0263	0.157	4	123.0263	0.025	4	122.7720	0.191	7	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO){3|C<3>}	121.0380	0.000	1	121.0380	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	122.1800	0.000	1	122.1800	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	124.8450	0.000	1	124.8450	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	123.8955	0.521	2	123.8955	0.272	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|H<1>,3|C<3>}	125.5600	0.000	1	125.4575	0.021	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CF3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|N<3>,3|C<3>}	125.3550	0.000	1	125.4575	0.021	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	122.5430	0.000	1	122.5430	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	121.5330	0.000	1	122.0665	0.569	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){1|C<3>,1|H<1>}	122.6000	0.000	1	122.0665	0.569	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	122.0380	0.000	1	122.0380	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,3|C<3>}	121.9830	0.000	1	122.5970	0.754	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,3|C<3>}	123.2110	0.000	1	122.5970	0.754	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	123.2470	0.000	1	123.2470	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	122.7250	0.000	1	122.7250	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|C<2>,3|C<3>}	122.5070	0.286	2	122.5070	0.082	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){1|C<2>,3|C<3>}	122.8340	0.000	1	122.8340	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO){1|C<2>,1|C<3>}	124.6040	0.000	1	124.6040	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO){3|C<3>}	121.4420	0.000	1	121.4420	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCO){1|H<1>,3|C<3>}	121.9550	0.000	1	121.9550	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(COO){4|C<3>}	121.7731	0.311	14	121.7731	0.097	14	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	122.1738	0.393	6	122.1738	0.155	6	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	122.0673	0.245	31	122.0622	0.055	36	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(COO){2|C<3>}	122.0308	0.173	5	122.0622	0.055	36	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO){4|C<3>}	121.6685	0.702	2	121.6685	0.493	2	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O){2|C<3>}	120.7820	0.000	1	120.7820	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(COO){2|C<3>}	121.0360	0.298	4	121.0360	0.089	4	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(COO){1|C<3>}	121.7200	0.000	1	121.7200	0.000	1	122.1716	0.738	85	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	122.0000	0.000	1	122.0000	0.000	1	121.6223	0.143	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	121.6240	0.000	1	121.6240	0.000	1	121.6223	0.143	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){2|N<3>,3|C<3>}	121.2430	0.000	1	121.2430	0.000	1	121.6223	0.143	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC3){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]C){2|H<1>,6|C<3>}	120.7440	0.000	1	120.7440	0.000	1	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N){2|H<1>,3|C<3>}	122.9083	0.413	6	122.9083	0.170	6	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	119.7815	0.375	2	119.7815	0.141	2	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	C[6a](C[6a]N[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]H){3|C<3>}	120.5615	0.124	2	120.5615	0.015	2	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CF3){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]N[6a]C){2|H<1>,6|C<3>}	124.6750	0.000	1	124.6750	0.000	1	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	121.7005	0.185	2	121.7005	0.034	2	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]C){1|O<2>,5|C<3>}	121.6800	0.000	1	121.6800	0.000	1	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]C)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(C[6a]N[6a]C){1|N<2>,3|C<3>}	120.7310	0.000	1	120.7310	0.000	1	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7860	0.091	2	122.7860	0.008	2	121.9411	1.869	18	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	119.8960	0.000	1	119.8960	0.000	1	120.8063	0.631	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH){1|C<3>,1|H<1>}	121.2615	0.135	2	121.2615	0.018	2	120.8063	0.631	3	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]C){1|H<1>,5|C<3>}	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NCuHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NCuHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Cu<4>,1|C<3>,1|H<1>,2|N<2>}	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(CNO){1|C<3>,1|H<1>}	125.2959	0.557	9	125.2959	0.310	9	125.2959	0.310	9	122.2868	1.760	141	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	123.3120	0.000	1	123.3120	0.000	1	123.3120	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	121.9590	0.000	1	121.9590	0.000	1	121.9590	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(PO3)	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(PO3){1|H<1>,3|C<3>}	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3){3|C<3>}	121.3690	0.000	1	121.3690	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO){3|C<3>}	121.7950	0.000	1	121.7950	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP){3|C<3>}	121.7360	0.000	1	121.7360	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	123.9010	0.000	1	123.9010	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	121.2210	0.000	1	121.2210	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|C<2>,3|C<3>}	124.3752	0.162	4	124.3752	0.026	4	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	123.0580	0.000	1	123.0580	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|C<2>,3|C<3>}	123.3670	0.490	3	123.3670	0.240	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	121.9495	1.648	2	121.9495	2.717	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|C<2>,3|C<3>}	123.1540	0.000	1	123.1540	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	122.0350	0.000	1	122.0350	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	123.7067	0.322	6	123.7067	0.103	6	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	122.7340	0.000	1	122.7340	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCCH){1|C<3>,1|H<1>}	123.1947	0.574	3	123.1947	0.329	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	122.9730	0.000	1	122.9730	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	122.1530	0.000	1	122.1530	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	123.2693	0.126	3	123.2693	0.016	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	124.2585	0.470	2	124.2585	0.221	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3){1|H<1>,3|C<3>}	123.9760	0.000	1	123.9760	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	121.6814	0.623	5	121.6814	0.388	5	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	123.0230	0.000	1	123.0230	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	124.0870	0.000	1	124.0870	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	122.7370	0.000	1	122.7370	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH){1|C<3>,1|H<1>}	124.2945	0.380	2	124.2945	0.144	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>}	122.6880	0.000	1	123.7560	0.856	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	124.2900	0.044	2	123.7560	0.856	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C)2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]C)2(CH3){1|C<3>}	122.0920	0.048	2	122.0920	0.002	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	122.6800	0.000	1	122.6800	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<2>,1|C<3>}	119.1530	0.000	1	119.1530	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO){1|C<3>,1|C<4>}	121.8905	0.643	6	121.8905	0.414	6	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3){1|H<1>,3|C<3>}	123.3980	0.000	1	123.3980	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	122.1794	0.407	5	122.1794	0.165	5	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	123.2360	1.051	3	123.2360	1.104	3	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3){1|C<3>}	122.1400	0.000	1	122.1400	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO){1|C<3>}	122.0090	0.081	2	122.0090	0.006	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	123.5820	0.000	1	123.5820	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	124.5430	0.000	1	124.5430	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	124.4143	0.123	3	124.1527	0.090	6	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	123.8910	0.069	3	124.1527	0.090	6	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	122.6810	0.000	1	122.6810	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	123.4665	0.278	2	123.4665	0.077	2	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CS3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	122.3130	0.000	1	122.3130	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	122.8450	0.000	1	122.8450	0.000	1	122.9542	1.214	83	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.7830	0.000	1	122.7830	0.000	1	122.7830	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(SNOO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(SNOO){1|C<3>,1|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|N<3>,1|O<1>}	122.4210	0.049	2	122.4210	0.002	2	122.4210	0.002	2	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	126.2890	0.000	1	126.2890	0.000	1	126.2890	0.000	1	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(PC[6a]2Cu)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(PC[6a]2Cu)	C[6a](C[6a]C[6a]P)(N[6a]C[6a])(PC[6a]2Cu){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(PC[6a]2Cu){1|C<3>,1|H<1>}	120.9960	0.245	2	120.9960	0.060	2	120.9960	0.060	2	122.9119	1.347	93	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:5:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-5:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2ReO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]2ReO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:6:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCF4){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|Br<1>,1|C<3>}	124.6230	0.000	1	124.6230	0.000	1	125.4765	0.370	4	125.4765	0.370	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:6:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]F4){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|Br<1>,1|C<3>}	125.6175	0.118	2	125.6175	0.014	2	125.4765	0.370	4	125.4765	0.370	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:2:6:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-6:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SF5){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(H){1|C<3>,1|I<2>}	126.0480	0.000	1	126.0480	0.000	1	125.4765	0.370	4	125.4765	0.370	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	122.4257	0.203	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	122.1700	0.120	2	122.1700	0.014	2	122.1700	0.014	2	122.4257	0.203	3	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	123.1950	0.000	1	123.1950	0.000	1	123.3427	0.017	3	123.0086	0.485	5	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,6|C<3>}	N[6a](N[6a]C[5,6a])(C[6a]C[6a]2){5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,6|C<3>}	123.4165	0.042	2	123.4165	0.002	2	123.3427	0.017	3	123.0086	0.485	5	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,7|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	123.0086	0.485	5	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH){1|H<1>,1|N<2>,4|C<3>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	123.0086	0.485	5	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	119.4310	0.000	1	119.4310	0.000	1	119.4310	0.000	1	119.4310	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	120.3910	0.000	1	119.7841	0.160	11	119.7841	0.160	11	119.7514	0.158	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	119.7896	0.376	8	119.7841	0.160	11	119.7841	0.160	11	119.7514	0.158	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	119.4585	0.162	2	119.7841	0.160	11	119.7841	0.160	11	119.7514	0.158	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]2)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.7514	0.158	12	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	122.0170	0.250	3	122.0170	0.063	3	122.0170	0.063	3	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	121.3457	0.783	3	121.3457	0.613	3	121.4274	0.320	5	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	121.5500	0.069	2	121.5500	0.005	2	121.4274	0.320	5	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	121.1070	0.000	1	121.1070	0.000	1	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	121.5030	0.000	1	121.5214	0.208	5	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,4|C<3>}	121.2290	0.000	1	121.5214	0.208	5	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|O<2>,2|N<2>,3|C<3>}	120.9740	0.000	1	121.5214	0.208	5	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	121.9505	0.276	2	121.5214	0.208	5	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|B<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H){1|N<2>,2|C<3>,3|O<2>}	121.1660	0.000	1	121.1660	0.000	1	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	120.8860	0.000	1	121.1367	0.233	3	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	121.2620	0.610	2	121.1367	0.233	3	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	121.4500	0.000	1	121.4500	0.000	1	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,2|C<3>}	122.3010	0.000	1	122.3010	0.000	1	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){2|N<2>,4|C<3>}	122.0115	0.257	8	122.0340	0.062	9	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){3|C<3>,3|N<2>}	122.2140	0.000	1	122.0340	0.062	9	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){2|C<3>,2|N<2>}	122.0703	0.177	3	122.0703	0.031	3	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	122.0920	0.389	2	122.0920	0.151	2	121.7593	0.232	26	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O){1|C<4>,1|N<2>,2|C<3>}	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	123.7785	0.029	2	123.7785	0.001	2	123.7785	0.001	2	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	123.2920	0.000	1	123.6809	0.115	8	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	123.2650	0.000	1	123.6809	0.115	8	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	123.3790	0.000	1	123.6809	0.115	8	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	124.0390	0.000	1	123.6809	0.115	8	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	123.8680	0.200	4	123.6809	0.115	8	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|C<3>,1|N<3>,2|N<2>}	125.2240	0.000	1	125.2240	0.000	1	123.8523	0.365	9	122.2370	1.066	46	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	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[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>}	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	115.3190	0.000	1	114.9850	0.223	2	114.9850	0.223	2	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6,6,6a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	114.6510	0.000	1	114.9850	0.223	2	114.9850	0.223	2	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.6960	0.000	1	119.7518	0.093	11	119.7518	0.093	11	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	119.7530	0.127	2	119.7518	0.093	11	119.7518	0.093	11	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	119.7585	0.361	8	119.7518	0.093	11	119.7518	0.093	11	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC){1|Cl<1>,1|N<2>,2|C<3>}	120.3840	0.000	1	120.3840	0.000	1	120.3840	0.000	1	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(SC)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(SC){1|C<3>,1|N<3>,2|N<2>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	119.4868	4.291	16	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|N<2>,5|C<3>}	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|N<2>,3|C<3>}	120.8040	0.000	1	120.8040	0.000	1	120.8040	0.000	1	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	122.5310	0.000	1	122.2613	0.236	3	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	122.1265	0.602	2	122.2613	0.236	3	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|N<2>}	121.9700	0.000	1	122.1204	0.101	8	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	122.1419	0.336	7	122.1204	0.101	8	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,2|N<2>,6|C<3>}	122.9640	0.491	4	122.9640	0.241	4	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	122.4360	0.000	1	122.4360	0.000	1	122.3774	0.256	16	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]N[6a]){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(NCC){1|N<2>,4|C<3>}	121.7390	0.031	2	121.7390	0.001	2	121.7390	0.001	2	122.2044	0.364	20	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH){2|C<3>,2|N<2>}	123.5805	0.120	2	123.5805	0.014	2	122.5830	0.837	5	123.1523	2.615	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	122.0110	0.000	1	122.0110	0.000	1	122.5830	0.837	5	123.1523	2.615	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){2|C<3>,2|N<2>}	121.8715	0.074	2	121.8715	0.006	2	122.5830	0.837	5	123.1523	2.615	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:3:4:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a]){1|B<4>,1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	125.9990	0.000	1	125.9990	0.000	1	125.9990	0.000	1	123.1523	2.615	6	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	3:4:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]N[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>}	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:2:	5:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,3|C<3>,4|B<6>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>}	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>,4|H<1>,5|B<6>}	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|S<2>,2|C<3>}	120.2630	0.000	2	120.2630	0.000	2	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|S<2>,3|C<3>}	120.0698	0.889	5	120.0698	0.790	5	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.3900	0.000	1	122.3900	0.000	1	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.7970	0.000	1	121.7970	0.000	1	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	121.3220	0.000	1	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.5330	0.352	8	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.0950	0.000	1	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	120.9673	0.295	4	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.5020	0.000	1	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.8755	0.443	4	121.2923	0.222	19	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	121.6590	0.346	2	122.2058	0.298	5	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	122.5703	0.195	3	122.2058	0.298	5	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	122.0360	0.000	1	122.0360	0.000	1	121.2553	0.729	34	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	120.0450	0.000	1	119.8555	0.077	4	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	119.9680	0.000	1	119.8555	0.077	4	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	119.4420	0.000	1	119.8555	0.077	4	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	119.9670	0.000	1	119.8555	0.077	4	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){1|H<1>,3|C<3>}	120.8790	0.000	1	120.8790	0.000	1	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	118.5105	0.327	2	118.5105	0.107	2	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){4|C<3>}	119.6830	0.188	2	119.6830	0.035	2	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])(H){3|C<3>}	121.8960	0.000	1	121.8960	0.000	1	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>}	119.4980	0.000	1	120.4903	0.637	16	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	121.0520	0.000	1	120.4903	0.637	16	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	120.7720	0.000	1	120.4903	0.637	16	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	121.1542	0.334	6	120.4903	0.637	16	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|N<2>,3|C<3>}	119.9424	0.692	7	120.4903	0.637	16	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	121.9720	0.000	1	121.0700	0.448	6	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	120.8350	0.633	4	121.0700	0.448	6	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,2|N<2>}	121.1080	0.000	1	121.0700	0.448	6	120.4015	0.865	32	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(H){1|H<1>,3|C<3>}	122.7960	0.000	1	122.7960	0.000	1	122.7960	0.000	1	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|N<3>,3|C<3>}	121.4270	0.000	1	121.4270	0.000	1	122.4220	0.786	3	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	122.9195	0.295	2	122.9195	0.087	2	122.4220	0.786	3	120.9370	1.089	70	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[5]-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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5])	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|N<3>,5|C<3>}	119.8467	0.123	3	119.8467	0.015	3	119.8467	0.015	3	120.4493	0.506	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:C-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[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	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[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	121.1780	0.028	2	121.1780	0.001	2	121.1780	0.001	2	120.4493	0.506	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|H<1>,3|C<3>}	120.7420	0.000	1	120.7420	0.000	1	120.5370	0.611	4	120.4493	0.506	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	121.2840	0.000	1	121.2840	0.000	1	120.5370	0.611	4	120.4493	0.506	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	120.0610	0.882	2	120.0610	0.779	2	120.5370	0.611	4	120.4493	0.506	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	121.5310	0.000	1	120.4202	0.759	4	120.4202	0.759	4	120.4202	0.759	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	120.6880	0.000	1	120.4202	0.759	4	120.4202	0.759	4	120.4202	0.759	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:2:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	119.7310	0.147	2	120.4202	0.759	4	120.4202	0.759	4	120.4202	0.759	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.2640	0.000	1	121.2640	0.000	1	122.4495	2.811	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.6350	0.000	1	123.6350	0.000	1	122.4495	2.811	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.4890	0.205	2	121.4890	0.042	2	121.4890	0.042	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.3890	0.000	1	123.7055	0.200	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.0220	0.000	1	123.7055	0.200	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7600	0.000	1	122.7600	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	122.2275	0.747	2	122.2275	0.559	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	121.1647	0.270	4	121.4729	0.521	7	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	122.7460	0.000	1	121.4729	0.521	7	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	122.1260	0.000	1	121.4729	0.521	7	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	120.7790	0.000	1	121.4729	0.521	7	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.3900	0.000	1	121.3900	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.2290	0.000	1	123.2290	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(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[5]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.8774	0.528	7	122.7020	0.485	8	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|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[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.4740	0.000	1	122.7020	0.485	8	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.9134	0.467	5	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5505	1.459	2	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7650	0.000	1	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.6200	0.000	1	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.6185	0.202	2	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7350	0.000	1	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.3650	1.004	3	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7400	0.000	1	122.6162	0.601	16	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.2020	0.410	2	123.2020	0.168	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	121.9285	0.050	2	121.9285	0.003	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	123.4112	0.422	14	123.4112	0.178	14	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Pt<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.3560	0.000	1	123.3560	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.3640	0.000	1	123.5863	0.056	3	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.6975	0.194	2	123.5863	0.056	3	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.5860	0.000	1	123.5860	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	124.3022	0.771	6	124.3022	0.594	6	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.8975	0.367	4	123.8975	0.134	4	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.4060	0.199	3	123.4060	0.040	3	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	124.2027	0.798	6	124.2027	0.637	6	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<2>}	121.9825	0.781	2	121.9825	0.611	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	124.1011	0.346	14	124.1011	0.119	14	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|H<1>,2|N<2>,2|S<2>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.3850	0.000	1	123.3850	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	122.5430	0.000	1	122.5430	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	122.9410	0.000	1	122.9410	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	123.4935	0.125	2	123.4935	0.016	2	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	121.0850	0.000	1	121.0850	0.000	1	123.1756	1.002	102	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	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[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[5a]N[6a])(H)	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[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[5a]N[6a])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.0310	0.127	2	120.0310	0.016	2	120.0310	0.016	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	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[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[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[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5410	0.025	2	121.5410	0.001	2	121.5410	0.001	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(F)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(F){1|H<1>,1|S<2>,2|C<3>}	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1180	0.016	2	123.1180	0.000	2	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.0350	0.000	1	122.0350	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8110	0.000	1	121.8110	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	121.7314	0.718	10	121.7314	0.515	10	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	122.2965	0.361	6	122.2965	0.130	6	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.0300	0.000	1	122.0300	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.6385	0.370	2	123.6385	0.137	2	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.8620	0.000	1	121.8620	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4050	0.000	1	122.4050	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6960	0.000	1	122.6960	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.7345	0.308	2	122.7613	0.042	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.7880	0.170	2	122.7613	0.042	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	121.3930	0.000	1	121.3930	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	120.0178	0.075	4	120.0178	0.006	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.2070	0.000	1	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5605	0.197	2	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.0930	0.000	1	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.0980	0.000	1	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.3505	0.682	2	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7000	0.027	2	122.4022	0.388	9	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7406	0.354	19	122.7406	0.125	19	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4776	0.877	7	122.4578	0.662	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.3190	0.000	1	122.4578	0.662	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9816	0.365	32	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.0470	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6280	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5228	0.307	8	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	116.7610	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.8760	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4460	1.932	2	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9610	1.037	2	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.1619	0.239	8	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.0660	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5350	0.313	3	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4149	0.528	30	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.9970	0.015	3	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.5650	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.8160	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.2237	0.512	3	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.5500	0.462	4	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.2830	0.000	1	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.1244	0.411	7	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7195	0.366	2	122.4193	0.690	112	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7480	0.436	6	122.7480	0.190	6	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.8725	0.286	2	121.0897	0.857	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.3070	0.195	2	121.0897	0.857	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])2(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[6a](C[6a]C[5a]N[6a])2(H){2|N<3>,3|C<3>}	120.9981	0.476	8	120.9981	0.226	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])2(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[6a](C[6a]C[5a]N[6a])2(H){2|N<3>,3|C<3>}	120.6755	0.248	2	120.6755	0.062	2	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.7407	0.465	20	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7251	0.951	12	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1900	0.000	1	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4469	0.594	7	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.8960	0.000	1	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7233	0.096	4	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.8115	0.733	2	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7130	0.183	4	122.2568	0.563	51	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(H){1|O<2>,4|C<3>}	122.3370	0.000	1	122.3370	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	121.9030	0.000	1	121.9030	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	122.9010	0.038	2	122.0109	0.917	17	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	121.1120	0.000	1	122.0109	0.917	17	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	122.9820	0.000	1	122.0109	0.917	17	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	121.8684	0.961	13	122.0109	0.917	17	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	121.4320	0.041	2	121.4320	0.002	2	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])2(H)	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[6a](C[6a]C[5a]N[6a])2(H){2|S<2>,3|C<3>}	121.3700	0.202	3	121.3700	0.041	3	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){1|S<2>,2|C<3>}	120.5630	0.234	4	120.5630	0.055	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]C)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]C)(H){1|S<2>,2|C<3>}	121.8480	0.000	1	121.8480	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,1|S<2>,4|C<3>}	122.8300	0.000	1	122.8300	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.3440	0.554	4	122.3440	0.307	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4935	0.011	2	121.3456	1.099	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5130	0.455	2	121.3456	1.099	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.6880	1.010	4	121.3456	1.099	8	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2440	0.000	1	123.2440	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.7800	0.049	2	122.2895	1.515	13	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0840	0.000	1	122.2895	1.515	13	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	122.2670	0.000	1	122.2895	1.515	13	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.8726	1.201	9	122.2895	1.515	13	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1650	0.000	1	123.1650	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9168	0.409	5	122.9168	0.168	5	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.4420	0.000	1	122.4420	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]C)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.9075	0.309	4	123.9075	0.095	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1460	0.636	5	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2390	0.000	1	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.9305	0.932	4	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9210	0.231	4	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.3595	0.789	19	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.0950	0.000	1	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9170	0.000	1	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.8865	0.325	6	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5037	0.417	3	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1558	0.557	31	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.5778	0.545	5	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1630	0.000	1	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.3880	1.035	6	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2590	0.000	1	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6228	3.296	9	122.8157	1.528	97	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.9120	0.000	1	122.9120	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	120.9170	0.010	2	120.9170	0.000	2	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6393	0.920	6	122.6909	0.787	23	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.3790	0.000	1	122.6909	0.787	23	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4170	0.000	1	122.6909	0.787	23	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1010	0.000	1	122.6909	0.787	23	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0112	0.429	14	122.6909	0.787	23	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.2005	0.612	2	123.3137	0.225	3	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	123.5400	0.000	1	123.3137	0.225	3	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	122.7760	0.841	4	122.7760	0.707	4	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.8080	0.000	1	123.8080	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.6740	0.000	1	123.6740	0.000	1	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.4070	0.490	3	123.1615	0.239	12	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.0797	0.488	9	123.1615	0.239	12	122.4232	1.039	466	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	123.2250	0.000	1	123.2250	0.000	1	122.4705	1.139	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O)	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[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	121.7160	0.000	1	121.7160	0.000	1	122.4705	1.139	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.0530	0.000	1	123.0530	0.000	1	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	122.4440	0.000	1	122.4440	0.000	1	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.7680	0.000	1	121.7680	0.000	1	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.2460	0.127	2	122.2460	0.016	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	122.9677	0.382	4	122.9677	0.146	4	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	124.2390	0.000	1	123.5545	0.937	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	122.8700	0.000	1	123.5545	0.937	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	122.4930	0.000	1	122.4930	0.000	1	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1300	0.000	1	123.3606	0.301	14	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1137	0.588	7	123.3606	0.301	14	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.6872	0.380	6	123.3606	0.301	14	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.6380	0.000	1	121.6380	0.000	1	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	123.6480	0.349	2	123.6480	0.122	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6070	0.000	1	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1085	0.418	2	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.2167	0.454	9	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.6770	0.000	1	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.2275	1.357	2	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	124.7190	0.000	1	123.0391	0.676	16	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	121.5210	0.000	1	122.9667	1.261	9	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	123.1474	1.051	8	122.9667	1.261	9	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5950	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7580	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.1110	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.2380	0.506	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7715	0.262	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.0510	0.844	8	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.9790	0.000	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.5345	0.698	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.6285	0.517	4	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.6535	1.877	4	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.9940	0.345	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.4355	0.838	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.5082	0.737	37	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4130	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.1960	0.428	3	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.2290	0.827	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.4630	0.181	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.4620	1.287	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.3281	0.630	16	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.7340	0.833	3	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.5000	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.3020	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.3435	1.961	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	120.6230	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.3160	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	126.3650	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	120.8910	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,2|C<3>}	123.0180	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>}	123.4910	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>}	122.8090	0.000	1	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	121.4545	0.094	2	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.0088	1.004	36	123.0185	1.219	146	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.2810	0.102	2	123.2810	0.010	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]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[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	122.9795	0.414	10	122.9795	0.172	10	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	123.0830	0.000	1	123.2948	0.082	11	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	123.6580	0.000	1	123.2948	0.082	11	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	123.2780	0.284	9	123.2948	0.082	11	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4790	0.844	2	122.4827	0.490	21	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.2795	0.585	2	122.4827	0.490	21	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.3894	0.676	17	122.4827	0.490	21	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	123.3075	0.155	2	123.3075	0.024	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	123.6250	0.000	1	123.2630	0.262	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	122.9010	0.000	1	123.2630	0.262	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.0450	0.447	2	122.0450	0.200	2	122.9888	0.933	250	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.7573	0.455	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.7060	0.946	2	121.7060	0.895	2	121.7573	0.455	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H){1|O<1>,5|C<3>}	122.1040	0.000	1	122.1040	0.000	1	122.1040	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|O<2>,5|C<3>}	122.3970	0.000	1	122.3970	0.000	1	122.5066	0.786	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,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[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|S<2>,5|C<3>}	121.6050	0.000	1	121.6050	0.000	1	122.5066	0.786	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|N<2>,4|C<3>}	121.7420	0.000	1	121.7420	0.000	1	122.5066	0.786	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,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[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.3945	0.397	2	123.3945	0.157	2	122.5066	0.786	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|C<3>}	121.6090	0.000	1	121.6090	0.000	1	121.5663	0.319	9	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.7533	0.745	4	121.5610	0.365	8	121.5663	0.319	9	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.3688	0.445	4	121.5610	0.365	8	121.5663	0.319	9	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	121.6770	0.000	1	121.6770	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	121.5280	0.000	1	121.5280	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	122.1330	0.000	1	121.6770	0.190	3	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	121.4490	0.262	2	121.6770	0.190	3	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	121.1502	0.249	4	121.1502	0.062	4	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	122.0795	0.217	2	122.0795	0.047	2	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	120.5840	0.000	1	120.5840	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	120.8580	0.000	1	120.8580	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	121.1365	0.554	6	121.1365	0.306	6	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	121.4340	0.000	1	121.4340	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){1|Se<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	120.8360	0.000	1	120.8360	0.000	1	121.3108	0.259	21	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){1|H<1>,5|C<3>}	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){3|C<3>}	117.8145	0.067	2	117.8145	0.005	2	118.5537	1.641	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(Br){1|N<3>,2|C<3>}	120.0320	0.000	1	120.0320	0.000	1	118.5537	1.641	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F){3|C<3>}	118.4485	0.844	2	118.5823	0.410	3	119.1112	0.757	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(F){3|C<3>}	118.8500	0.000	1	118.5823	0.410	3	119.1112	0.757	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(F){6|C<3>}	119.6670	0.000	1	119.6670	0.000	1	119.1112	0.757	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(F){1|H<1>,3|C<3>}	120.1420	0.000	1	120.1420	0.000	1	119.1112	0.757	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.4355	0.018	2	120.4355	0.000	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9050	0.000	1	122.8083	0.217	7	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7922	0.508	6	122.8083	0.217	7	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4830	0.000	1	122.4830	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6260	0.344	2	120.6260	0.118	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.0255	0.001	2	121.0255	0.000	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9685	0.777	2	121.9685	0.604	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.0225	0.800	2	121.4870	0.674	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.9515	0.486	2	121.4870	0.674	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.1550	0.000	1	123.1550	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.6870	0.000	1	122.6870	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5310	0.000	1	121.5310	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.9310	0.000	1	121.9310	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.8490	0.000	1	122.1999	0.179	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.3840	0.000	1	122.1999	0.179	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.2440	0.000	1	122.1999	0.179	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.7570	0.000	1	122.1999	0.179	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9608	0.315	6	122.1999	0.179	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	122.7145	0.252	4	122.7145	0.063	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	121.3280	0.000	1	121.3280	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9005	0.148	2	122.1257	0.121	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.3510	0.371	2	122.1257	0.121	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	121.5880	0.000	1	121.5880	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9990	0.512	2	123.0734	0.613	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.0982	0.896	6	123.0734	0.613	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(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]2){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	122.2050	0.243	2	122.2050	0.059	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.1780	0.000	1	121.6794	0.349	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6760	0.000	1	121.6794	0.349	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9080	0.000	1	121.6794	0.349	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8175	0.227	2	121.6794	0.349	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	120.6250	0.000	1	120.8027	2.264	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,5|C<3>}	121.4150	0.250	2	120.8027	2.264	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.3283	0.937	3	120.8027	2.264	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	120.2780	2.112	5	120.8027	2.264	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){4|C<3>}	121.0340	0.122	2	121.4133	0.439	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,3|C<3>}	122.1720	0.000	1	121.4133	0.439	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.3090	0.047	2	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.4617	1.257	3	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	121.6250	0.000	1	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	120.9840	0.000	1	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.4126	0.689	7	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9665	0.144	2	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.0620	0.081	2	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.3990	0.000	1	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.1065	0.285	4	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	122.4880	0.000	1	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.6195	0.411	2	121.2350	0.950	26	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|Cl<1>,3|C<3>}	122.0040	0.000	1	122.0040	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|Br<1>,5|C<3>}	121.6170	0.000	1	121.5413	0.057	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){6|C<3>}	121.2750	0.000	1	121.5413	0.057	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.7320	0.000	1	121.5413	0.057	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	120.2980	0.088	2	121.1158	0.614	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	120.6690	0.000	1	121.1158	0.614	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	121.8760	0.000	1	121.1158	0.614	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	121.9700	0.000	1	121.1158	0.614	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	121.5840	0.000	1	121.1158	0.614	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,5|C<3>}	122.5370	0.000	1	122.5370	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5420	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.2798	0.402	4	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.0240	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.0425	0.445	2	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.5305	0.559	2	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	122.1150	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.9425	0.545	2	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.1640	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	120.2195	0.043	2	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.2130	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.3790	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.2340	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.0670	0.794	8	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.9800	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.4135	1.234	8	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.4690	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.7545	0.216	4	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.6410	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	122.0620	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8600	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	122.3890	0.000	1	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	121.5635	0.196	2	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.4459	0.941	37	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5152	0.511	12	121.4409	0.905	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	119.9160	0.000	1	121.4000	1.672	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	122.1420	0.204	2	121.4000	1.672	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	121.1790	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,4|C<3>}	121.2370	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,5|C<3>}	121.4860	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|N<3>,5|C<3>}	122.3870	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){6|C<3>}	122.0720	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.9290	0.000	1	121.7150	0.239	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,3|C<3>}	121.4430	0.000	1	121.4430	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.4788	0.391	5	122.3832	0.212	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.4410	0.000	1	122.3832	0.212	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8615	0.677	2	122.3832	0.212	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	122.3030	0.027	2	122.3832	0.212	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.0510	0.000	1	122.3832	0.212	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	121.5770	0.000	1	121.5770	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	121.6019	0.599	10	121.5239	0.351	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.2640	0.600	3	121.5239	0.351	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|C<2>,3|C<3>}	121.4855	0.414	4	121.4855	0.171	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6250	0.000	1	121.3053	0.259	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5320	0.283	3	121.3053	0.259	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|P<4>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.3430	0.000	1	122.3430	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	121.7120	0.000	1	121.7120	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	120.4490	0.000	1	120.4490	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.6810	0.000	1	120.4880	0.300	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.8980	0.000	1	120.4880	0.300	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.1865	0.716	2	120.4880	0.300	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	121.0826	0.385	18	121.0826	0.148	18	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	119.6863	0.379	3	120.3928	0.900	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.7090	0.000	1	120.3928	0.900	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	121.2945	0.995	2	120.3928	0.900	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(H){1|O<2>,4|C<3>}	121.4640	0.000	1	121.4640	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	121.7498	0.387	6	121.6025	0.183	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	121.5887	0.366	6	121.6025	0.183	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	120.8020	0.000	1	121.6025	0.183	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	121.5422	0.412	5	121.6677	0.234	7	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	121.9815	0.670	2	121.6677	0.234	7	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	122.1830	0.000	1	122.1830	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)(H){3|C<3>}	121.1430	0.000	1	121.1430	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.3480	0.000	1	121.4063	0.664	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	121.5239	0.769	9	121.4063	0.664	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	120.8195	0.681	2	120.8195	0.464	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.7015	0.228	2	120.7015	0.052	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	121.0250	0.707	5	120.7547	0.335	14	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<4>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	119.7870	0.000	1	120.7547	0.335	14	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	120.7067	0.383	8	120.7547	0.335	14	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.5968	0.500	4	120.5968	0.250	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,4|C<3>}	122.0900	0.000	1	122.5062	0.093	9	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|S<2>,4|C<3>}	122.2650	0.298	2	122.5062	0.093	9	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	122.8585	0.241	2	122.5062	0.093	9	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,5|C<3>}	122.5547	0.124	4	122.5062	0.093	9	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	122.0630	1.584	3	122.2146	0.360	78	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	122.1520	0.000	1	122.2146	0.360	78	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|O<2>,5|C<3>}	121.9490	0.000	1	122.2146	0.360	78	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	121.9811	0.471	11	122.2146	0.360	78	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	122.2686	0.567	62	122.2146	0.360	78	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	121.5395	0.756	2	122.0395	0.489	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	122.5230	0.000	1	122.0395	0.489	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	122.0687	0.846	6	122.0395	0.489	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	122.0823	0.646	8	122.0395	0.489	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,5|C<3>}	121.3860	0.010	2	121.3860	0.000	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.7850	0.000	1	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6430	0.000	1	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.9780	0.000	1	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5290	0.881	2	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.8820	0.497	4	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.2440	0.399	2	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	118.4715	1.872	2	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){4|C<3>}	120.6935	0.203	2	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	120.9450	0.000	1	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.4646	1.517	11	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.8674	0.386	7	121.2629	1.571	34	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|F<1>,3|C<3>}	122.9900	0.000	1	122.9900	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	122.1130	0.081	2	121.8363	0.108	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	121.4830	0.000	1	121.8363	0.108	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	121.6360	0.000	1	121.8363	0.108	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.7050	0.000	1	121.7050	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	123.2750	0.628	3	123.2750	0.395	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.7920	0.000	1	121.1178	0.382	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Ir<6>,3|C<3>}	121.0622	0.595	5	121.1178	0.382	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.0518	0.676	6	121.1178	0.382	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.4340	0.000	1	121.5900	1.425	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	120.7460	0.000	1	121.5900	1.425	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,5|C<3>}	122.2303	0.324	3	122.2303	0.105	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<4>,5|C<3>}	120.7577	0.204	3	120.7577	0.041	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|Ir<6>,3|C<3>}	120.0800	0.000	1	120.0800	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	120.0445	0.682	2	120.0445	0.466	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){1|N<2>,4|C<3>}	122.7520	0.000	1	120.8927	0.724	14	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	120.7497	0.689	13	120.8927	0.724	14	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(H){3|C<3>}	120.6240	0.000	1	121.0993	0.171	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(H){3|C<3>}	121.3370	0.048	2	121.0993	0.171	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	121.0030	0.352	5	121.0030	0.124	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(H){3|C<3>}	120.0570	0.000	1	120.0570	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){5|C<3>}	121.1725	0.349	4	121.1725	0.122	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(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]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.4340	0.000	1	123.4340	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	121.7890	0.000	1	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.9523	0.248	4	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4820	0.000	1	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.1465	0.265	4	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.9227	0.387	30	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2780	0.000	1	122.9421	0.166	41	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	123.0526	0.451	5	123.0190	0.256	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.8580	0.000	1	123.0190	0.256	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	124.0180	0.000	1	123.0190	0.256	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<3>,2|H<1>,4|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.9465	0.233	2	123.0190	0.256	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	122.5885	0.534	2	123.0190	0.256	11	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,4|C<3>}	122.8120	0.169	5	122.8120	0.028	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	122.6840	0.216	3	122.7606	0.065	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9285	0.409	2	122.7606	0.065	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6260	0.000	1	122.7606	0.065	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7750	0.324	2	122.7606	0.065	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	122.9760	0.000	1	123.0885	0.025	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	123.2010	0.000	1	123.0885	0.025	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	123.1040	0.000	1	123.1040	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.6070	0.000	1	122.7880	0.066	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.9690	0.000	1	122.7880	0.066	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6534	0.629	16	122.1993	0.529	69	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.0302	0.675	41	122.1993	0.529	69	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.1717	0.817	12	122.1993	0.529	69	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|N<2>,1|S<2>,2|C<3>}	123.0550	0.029	4	123.0550	0.001	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<5>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,2|C<3>,4|B<6>}	122.9710	0.000	1	122.9710	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.7303	0.609	10	122.7118	0.281	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,3|N<2>}	122.6503	0.100	3	122.7118	0.281	13	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<2>,2|C<3>,2|O<2>}	121.8760	0.157	4	121.8760	0.025	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	122.7720	0.000	1	122.7720	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<2>,1|O<2>,2|C<3>}	122.2930	0.204	2	122.6653	0.150	57	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.8869	0.246	7	122.6653	0.150	57	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.6690	0.000	1	122.6653	0.150	57	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.6070	0.455	34	122.6653	0.150	57	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.7554	0.167	13	122.6653	0.150	57	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	122.7125	0.330	2	122.7125	0.109	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7218	0.281	5	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.3962	0.575	6	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.7358	0.298	14	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.2973	1.504	101	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.2427	0.882	3	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.6238	0.339	5	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|N<2>,2|C<3>}	121.9703	0.594	41	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	121.2916	0.845	30	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	122.3307	1.256	3	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	121.9578	0.482	21	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	122.3380	0.000	1	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.0466	0.901	557	122.0687	0.967	787	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	122.8945	0.486	6	122.8945	0.237	6	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	123.2520	0.346	4	123.2520	0.120	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	122.9070	0.000	1	122.9070	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Si)(H){1|H<1>,1|N<2>,2|C<3>}	122.1240	0.000	1	122.1240	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.1385	0.865	2	122.1385	0.748	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,4|C<3>}	122.7737	0.508	3	122.5302	0.409	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	121.8000	0.000	1	122.5302	0.409	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4385	0.296	8	122.4385	0.088	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.8465	0.301	2	121.8465	0.090	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.1088	0.153	5	122.1088	0.023	5	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	121.0405	0.060	2	121.0405	0.004	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){2|N<2>,3|C<3>}	121.7290	0.000	1	121.7290	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	121.9530	0.000	1	121.9530	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	121.3945	0.267	2	121.3945	0.071	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,5|C<3>}	122.3920	0.625	4	122.3920	0.391	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	123.3330	0.516	2	122.9335	0.140	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.0080	0.000	1	122.9335	0.140	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.3685	0.067	2	122.9335	0.140	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.9548	0.302	12	122.9335	0.140	17	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.7025	0.110	2	122.7494	0.202	159	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.6931	0.324	11	122.7494	0.202	159	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.7615	0.463	142	122.7494	0.202	159	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,3|N<2>}	122.7905	0.035	2	122.7494	0.202	159	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,2|N<2>,3|C<3>}	122.2075	0.272	2	122.7494	0.202	159	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.8976	0.404	18	122.7678	0.332	33	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.9420	0.000	1	122.7678	0.332	33	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.9635	0.069	2	122.7678	0.332	33	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	122.5261	0.781	12	122.7678	0.332	33	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H){1|Fe<10>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	123.0263	0.366	6	122.9665	0.125	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,4|C<3>}	122.7870	0.339	2	122.9665	0.125	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	123.0090	0.506	2	122.4360	0.253	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	122.3214	0.440	10	122.4360	0.253	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	122.8535	0.312	2	122.8535	0.097	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.8323	0.253	8	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.3120	0.335	2	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	122.8630	0.255	2	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.4063	0.496	13	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.3887	1.961	3	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.3700	0.792	68	122.4335	0.690	96	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]I)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	123.4445	0.203	2	123.4445	0.041	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	123.4224	0.570	10	123.4224	0.325	10	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,4|C<3>}	121.9485	0.070	2	121.9485	0.005	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	123.5391	0.395	20	123.5391	0.156	20	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	123.7890	0.372	2	123.2292	0.176	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	123.2302	0.295	6	123.2292	0.176	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	122.6690	0.000	1	123.2292	0.176	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	123.2280	0.331	2	123.2292	0.176	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	122.6670	0.000	1	123.2292	0.176	12	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	123.2080	0.000	1	123.2080	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.0960	0.637	3	122.0960	0.406	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,4|C<3>}	122.6740	0.000	2	122.6740	0.000	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.9260	0.000	1	122.3730	0.400	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.8200	0.000	1	122.3730	0.400	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.5500	0.000	1	122.4420	0.023	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	122.3340	0.000	1	122.4420	0.023	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	122.8370	0.000	1	122.8370	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.0581	0.370	8	122.0581	0.137	8	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(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[6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	123.0780	0.000	1	123.0780	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.2505	0.008	2	122.5010	0.314	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.3390	0.000	1	122.5010	0.314	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.1640	0.000	1	122.5010	0.314	4	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.0030	0.000	1	122.7183	0.102	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.5760	0.286	2	122.7183	0.102	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.8250	0.000	1	122.8250	0.000	1	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){1|N<2>,4|C<3>}	121.9550	0.000	1	122.0097	0.031	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(H){2|N<2>,3|C<3>}	122.0370	0.239	2	122.0097	0.031	3	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6a])2(H){2|N<2>,3|C<3>}	121.5040	0.083	2	121.5040	0.007	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	122.2100	0.000	1	122.9710	1.158	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	123.7320	0.000	1	122.9710	1.158	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.4330	0.055	2	122.4330	0.003	2	122.1379	0.934	1997	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O){1|C<4>,3|C<3>}	123.3680	0.000	1	123.3680	0.000	1	121.7265	1.358	4	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	120.9055	0.177	2	120.9055	0.032	2	121.7265	1.358	4	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O){3|C<3>}	121.7270	0.000	1	121.7270	0.000	1	121.7265	1.358	4	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|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[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	122.1610	0.355	2	122.1610	0.126	2	122.1610	0.126	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>}	122.0200	0.767	2	122.0200	0.588	2	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	121.0500	0.000	1	121.0500	0.000	1	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,2|C<3>}	121.3787	0.168	4	121.3787	0.028	4	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,2|C<3>}	121.2340	0.000	1	121.2340	0.000	1	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|O<1>,2|N<3>,3|C<3>}	121.2990	0.000	1	121.2990	0.000	1	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>}	121.0645	0.059	2	121.0645	0.003	2	121.3879	0.183	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(N[6a]N[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.8850	0.827	2	122.8850	0.684	2	122.5297	0.904	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.6510	1.203	5	122.6510	1.448	5	122.5297	0.904	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	122.5095	1.025	2	122.5095	1.050	2	122.5297	0.904	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	121.8915	0.613	2	121.8915	0.376	2	122.5297	0.904	11	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[4]As[4]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[4]As[4]2)(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){2|As<3>,1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){2|As<3>,1|C<3>,1|H<1>}	124.4970	0.122	2	124.4970	0.015	2	123.7123	1.855	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[4]Si[4]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[4]Si[4]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>}	122.1430	0.000	1	122.1430	0.000	1	123.7123	1.855	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0320	0.649	2	121.3000	0.426	3	121.3000	0.426	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8360	0.000	1	121.3000	0.426	3	121.3000	0.426	3	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.1350	0.000	1	126.1350	0.000	1	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.1380	0.000	1	123.5170	6.759	3	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.7500	0.000	1	123.5170	6.759	3	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6630	0.000	1	123.5170	6.759	3	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.0470	0.000	1	125.0470	0.000	1	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.6600	0.323	12	124.6287	0.105	14	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.4410	0.369	2	124.6287	0.105	14	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,2|N<2>}	125.5235	0.032	2	125.5235	0.001	2	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	125.7840	0.151	2	125.7840	0.023	2	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	125.2555	0.074	2	125.2555	0.006	2	124.7864	1.062	25	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(F)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(F){1|C<4>,3|C<3>}	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	125.8950	0.000	1	125.8950	0.000	1	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	124.8190	0.000	1	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	125.3470	0.000	1	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	125.3910	0.000	1	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	124.9103	0.135	4	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	124.8240	0.000	1	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	123.9830	0.000	1	124.8894	0.169	9	124.9900	0.251	10	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[4]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	122.4900	0.000	1	122.5325	0.004	2	122.5325	0.004	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[4]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	122.5750	0.000	1	122.5325	0.004	2	122.5325	0.004	2	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	122.3290	0.000	1	122.3290	0.000	1	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.0480	0.000	1	124.0480	0.000	1	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.8120	0.000	1	124.0653	1.982	7	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.5340	0.000	1	124.0653	1.982	7	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	125.3003	0.257	3	124.0653	1.982	7	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.6050	0.132	2	124.0653	1.982	7	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	126.3240	0.000	1	126.3240	0.000	1	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.9810	0.564	2	124.9810	0.318	2	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	126.1400	0.000	1	126.1400	0.000	1	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	122.7015	0.445	2	122.7015	0.198	2	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	125.1030	0.000	1	123.2323	8.963	10	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.7288	2.028	5	123.2323	8.963	10	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.8940	0.588	4	123.2323	8.963	10	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	123.6560	0.000	1	123.6560	0.000	1	123.7939	4.644	26	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	124.5067	2.742	4	124.5067	7.521	4	124.5067	7.521	4	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.9700	0.246	5	123.9700	0.061	5	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.9355	0.176	2	124.9355	0.031	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.7952	0.661	4	124.7952	0.437	4	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>}	123.1683	0.718	4	123.1683	0.516	4	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.6370	0.000	1	122.6370	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.2740	0.000	1	124.1251	0.380	16	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.5508	0.520	5	124.1251	0.380	16	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.7560	0.170	2	124.1251	0.380	16	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]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[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.5550	0.000	1	124.1251	0.380	16	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.4153	0.449	7	124.1251	0.380	16	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.2880	0.218	6	123.4048	0.426	8	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]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[6a]N[5a])2{2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.7550	1.554	2	123.4048	0.426	8	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.1010	0.000	1	124.1010	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.3380	0.437	3	124.3380	0.191	3	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.0360	0.000	1	124.5700	0.570	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.1040	0.000	1	124.5700	0.570	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.4800	0.000	1	125.4800	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	122.9120	0.546	2	123.9234	0.957	5	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	124.8820	0.000	1	123.9234	0.957	5	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.4720	0.000	1	123.9234	0.957	5	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.4390	0.000	1	123.9234	0.957	5	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.3890	0.000	1	124.3890	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.4327	0.234	4	124.4327	0.055	4	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	125.2110	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.2550	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.6610	0.168	2	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.5905	0.187	2	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.9410	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>}	125.4930	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|N<2>,2|C<3>}	125.3650	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	124.6890	0.000	1	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	125.5920	0.247	2	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.0527	0.200	6	124.7198	0.706	18	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	125.9650	0.083	2	125.9650	0.007	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.1715	0.276	2	125.1715	0.076	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])(C[6a]C[6a]N[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.3180	0.000	1	123.3180	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	121.9230	0.000	1	121.9230	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H)	C[6a](N[5a]C[5a]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[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>}	124.3380	0.000	1	124.3380	0.000	1	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	123.6720	0.000	1	123.9130	0.116	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[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[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	124.1540	0.000	1	123.9130	0.116	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])2(H)	C[6a](N[5a]C[5a]N[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[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	123.8310	0.000	1	123.7636	0.416	7	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](C[6a]N[5a]N[6a])2(H)	C[6a](N[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[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	123.7523	0.706	6	123.7636	0.416	7	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[6a]N[5a]N[6a])2(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	124.9820	0.375	2	124.9820	0.140	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[6a]N[5a]N[6a])2(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	126.1645	0.239	4	126.1645	0.057	4	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	122.2980	0.000	1	122.3020	0.000	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	122.3060	0.000	1	122.3020	0.000	2	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	125.0919	0.287	8	125.0919	0.082	8	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H)	C[6a](N[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[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	124.6663	0.158	3	124.7484	0.091	19	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	124.7638	0.323	16	124.7484	0.091	19	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.7388	0.472	4	124.7923	0.266	23	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.8036	0.536	19	124.7923	0.266	23	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	124.9555	0.481	4	124.8503	0.167	6	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	124.6400	0.074	2	124.8503	0.167	6	124.4607	0.743	155	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[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[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](N[6,6]C[3x6]O[6,6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.7198	0.041	5	123.7198	0.002	5	123.7198	0.002	5	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	122.2680	0.000	1	122.7310	0.172	3	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.9625	0.149	2	122.7310	0.172	3	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])2(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[6])2(H){2|C<4>,3|C<3>}	121.6890	0.000	1	121.6890	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.1037	0.589	3	122.6020	1.224	4	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	N[6a](C[6a]C[6a]N[6])2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.0970	0.000	1	122.6020	1.224	4	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	125.6390	0.000	1	125.6390	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){4|C<3>}	123.9500	0.000	1	123.9500	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.9195	0.281	2	124.9195	0.079	2	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.6660	0.100	2	124.6660	0.010	2	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.8380	0.000	1	122.8380	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.1720	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.0970	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[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]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.0760	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.4730	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.0520	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.6010	0.000	1	122.9118	0.208	6	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	123.2040	0.000	1	123.3590	0.048	2	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	123.5140	0.000	1	123.3590	0.048	2	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	124.5130	0.000	1	124.5130	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	122.9735	1.257	2	122.9735	1.579	2	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	122.4440	0.000	1	122.4440	0.000	1	123.2956	1.181	27	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.7710	0.221	2	121.7710	0.049	2	121.9657	0.052	6	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]C)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	122.2590	0.000	1	122.2590	0.000	1	121.9657	0.052	6	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.0990	0.000	1	122.0990	0.000	1	121.9657	0.052	6	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]Si)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]Si)(H){1|C<3>,1|H<1>,2|C<4>}	121.8250	0.000	1	121.8250	0.000	1	121.9657	0.052	6	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.0690	0.000	1	122.0690	0.000	1	121.9657	0.052	6	122.4343	1.409	3174	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	120.0520	0.000	2	120.0520	0.000	2	120.0520	0.000	2	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	119.4674	1.506	8	119.6848	1.043	30	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	119.6220	0.269	4	119.6848	1.043	30	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.4813	0.500	7	119.6848	1.043	30	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.4290	0.000	1	119.6848	1.043	30	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	119.2519	0.774	10	119.6848	1.043	30	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.6620	0.000	1	120.6620	0.000	1	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.8690	0.000	1	120.8690	0.000	1	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	119.8340	0.486	2	119.8340	0.237	2	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.8851	0.603	15	120.8595	0.426	18	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.5960	1.411	2	120.8595	0.426	18	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	121.0030	0.000	1	120.8595	0.426	18	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[5a]-3:C[6a]-3:N[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	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[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>}	120.5650	0.058	2	120.5650	0.003	2	120.1545	1.030	54	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-2:	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[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	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[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>}	119.4180	0.255	4	119.4180	0.065	4	119.2739	0.066	7	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[5a]C[5a]O[5a])(C[6a]C[5a]N[6a])(N[6a]N[6a])	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[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>}	119.1590	0.000	1	119.1590	0.000	1	119.2739	0.066	7	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[5a]C[5a]S[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	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[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>}	119.0430	0.004	2	119.0430	0.000	2	119.2739	0.066	7	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	120.4356	0.093	5	120.5944	0.088	7	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	120.9915	0.231	2	120.5944	0.088	7	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN){4|C<3>}	120.5540	0.000	1	119.8730	0.928	2	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(CN){4|C<3>}	119.1920	0.000	1	119.8730	0.928	2	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	119.9650	0.000	1	119.9650	0.000	1	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-2:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	120.0760	0.000	1	120.0760	0.000	1	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN)	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[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,1|S<2>,2|C<3>}	121.3920	0.000	1	121.3920	0.000	1	120.4450	0.321	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:O-2:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(OOs)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(OOs){1|H<1>,1|N<3>,2|C<3>}	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Cl){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,5|C<3>}	116.7850	0.000	1	116.7850	0.000	1	116.4235	0.261	2	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	116.0620	0.000	1	116.0620	0.000	1	116.4235	0.261	2	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-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[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	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[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>}	121.1440	0.000	1	121.1440	0.000	1	120.0540	0.973	3	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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:N[6a]-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[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	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[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>}	119.5090	0.404	2	119.5090	0.164	2	120.0540	0.973	3	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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]C)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	118.8310	0.000	1	118.8310	0.000	1	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	120.1850	0.000	1	120.7984	0.138	14	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	121.5730	0.000	1	120.7984	0.138	14	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	120.7814	0.326	8	120.7984	0.138	14	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	120.7922	0.158	4	120.7984	0.138	14	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-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])2	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	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[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>}	120.0360	0.755	2	120.0360	0.570	2	120.5930	0.418	17	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N[6a]-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])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	118.3533	0.149	3	118.3533	0.022	3	119.9110	2.742	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N[6a]-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])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	121.5100	1.506	2	121.5100	2.268	2	119.9110	2.742	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N[6a]-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])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	120.8234	1.277	5	120.8234	1.630	5	119.9110	2.742	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N[6a]-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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	118.4270	0.000	1	118.3675	0.007	2	119.9110	2.742	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N[6a]-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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	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[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	118.3080	0.000	1	118.3675	0.007	2	119.9110	2.742	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.0777	0.489	12	121.0777	0.239	12	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.4905	1.331	2	121.4905	1.773	2	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	120.7800	0.105	4	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	121.1540	0.000	1	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.4510	0.361	14	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.1060	0.119	2	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|H<1>,1|N<2>,5|C<3>}	121.2215	0.316	2	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Cl<1>,2|N<2>,4|C<3>}	121.2680	0.000	1	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a,6a]){1|Pd<4>,2|N<2>,4|C<3>}	120.5305	0.718	2	121.2143	0.194	26	121.1872	0.246	40	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC){1|H<1>,5|C<3>}	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(SC){1|H<1>,5|C<3>}	122.1155	0.128	2	122.1155	0.016	2	122.1155	0.016	2	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	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>}	121.0940	2.131	2	121.0940	4.542	2	119.4420	2.047	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	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>}	120.1380	0.350	5	120.1380	0.122	5	119.4420	2.047	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	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>}	118.1040	0.000	1	118.2830	0.046	3	119.4420	2.047	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	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>}	118.3725	0.210	2	118.2830	0.046	3	119.4420	2.047	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,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[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>}	117.7885	0.141	2	117.7885	0.020	2	119.4420	2.047	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])2(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(CN){5|C<3>}	121.4450	0.722	4	121.4450	0.521	4	121.6098	0.995	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN){4|C<3>}	123.3090	0.000	1	123.3090	0.000	1	121.6098	0.995	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CN){1|H<1>,3|C<3>}	123.5480	0.000	1	123.5480	0.000	1	121.6098	0.995	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN){1|C<2>,5|C<3>}	121.1135	0.480	6	121.1135	0.230	6	121.6098	0.995	12	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){1|C<2>,3|C<3>}	121.3540	0.000	1	121.1584	1.016	5	122.1941	1.800	10	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){4|C<3>}	121.1095	1.157	4	121.1584	1.016	5	122.1941	1.800	10	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	123.2298	0.594	5	123.2298	0.353	5	122.1941	1.800	10	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,2|H<1>,5|C<3>}	120.3333	0.287	8	120.3333	0.082	8	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	119.8540	0.000	1	119.8540	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a]2)(C[6a]N[6a]N){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.5580	0.000	1	119.5580	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.4660	0.274	2	119.4660	0.075	2	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	120.2760	0.000	1	119.8496	0.211	31	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	119.8354	0.460	30	119.8496	0.211	31	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.8240	0.422	4	119.7768	0.118	8	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	119.7295	0.302	4	119.7768	0.118	8	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,5|C<3>}	114.6860	0.000	1	114.6860	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	114.5205	0.960	2	114.5205	0.921	2	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(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[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	115.8630	0.000	1	115.8630	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	116.1875	0.259	4	116.3594	0.366	18	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.3840	0.188	4	116.3594	0.366	18	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.4675	0.013	2	116.3594	0.366	18	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	116.4970	0.000	1	116.3594	0.366	18	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.3931	0.978	7	116.3594	0.366	18	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	115.6930	0.000	1	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	116.3106	0.459	5	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	116.3233	0.414	10	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.6807	0.311	3	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	116.6810	0.204	2	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|H<1>,3|C<3>}	116.8640	0.000	1	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,2|H<1>,3|C<3>}	116.2830	0.000	1	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.1567	0.340	12	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.4700	0.766	4	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.8464	0.478	8	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.5565	0.453	2	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	118.7105	2.791	4	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	116.9209	1.320	53	116.7578	1.402	106	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	116.3210	0.000	1	117.1866	4.469	7	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	115.5550	0.000	1	117.1866	4.469	7	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.4970	0.000	1	117.1866	4.469	7	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.6930	2.903	2	117.1866	4.469	7	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	116.2735	0.515	2	117.1866	4.469	7	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]B[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	116.9320	0.000	1	116.9320	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	116.1570	0.000	1	115.8995	0.133	2	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	115.6420	0.000	1	115.8995	0.133	2	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	115.9770	0.000	1	115.9770	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	115.5150	0.000	1	115.2605	0.058	4	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	115.1757	0.210	3	115.2605	0.058	4	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	116.8660	0.000	1	116.8660	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	117.8750	0.000	1	117.8750	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	120.2106	0.266	7	120.2170	0.246	10	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	120.2320	0.945	3	120.2170	0.246	10	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	120.6464	0.468	15	120.6464	0.219	15	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]2)2{3|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	119.3385	1.364	19	119.3385	1.862	19	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,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[6a](C[6a]C[6a]N[6a])2(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	117.9070	0.000	1	117.9070	0.000	1	117.9375	3.759	241	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	120.8090	0.000	1	120.8090	0.000	1	121.2183	0.113	6	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OC){1|H<1>,5|C<3>}	121.2680	0.000	1	121.2680	0.000	1	121.2183	0.113	6	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	121.1070	0.000	1	121.1070	0.000	1	121.2183	0.113	6	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>}	121.5820	0.225	2	121.5820	0.051	2	121.2183	0.113	6	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|N<2>,3|C<3>}	120.9620	0.000	1	120.9620	0.000	1	121.2183	0.113	6	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(SC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|S<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(SC[6a]){4|C<3>}	122.8135	0.064	2	122.8135	0.004	2	122.8135	0.004	2	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6]){2|C<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN){1|C<2>,3|C<3>}	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	119.1190	4.515	437	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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,6a]-3:C[6a]-3:C[6a]-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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-3:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|S<2>,2|C<3>}	121.0450	0.670	3	121.0450	0.449	3	121.8968	1.766	5	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-3:	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO)	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[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1745	0.852	2	123.1745	0.726	2	121.8968	1.766	5	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NFeC)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NFeC){1|H<1>,1|N<3>,2|C<3>}	120.1920	0.000	1	120.1920	0.000	1	120.7325	0.584	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:N-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	121.2730	0.000	1	121.2730	0.000	1	120.7325	0.584	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2)	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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	123.3830	0.000	1	123.3830	0.000	1	123.3830	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C[5]-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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	122.3130	0.000	1	122.3130	0.000	1	122.3130	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a]){1|Ni<4>,1|H<1>,7|C<3>}	123.7660	0.000	1	123.7660	0.000	1	123.7660	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[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[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[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	C[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(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[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.0330	0.000	1	123.0330	0.000	1	123.1565	0.031	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(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]N)(C[6a]C[6a]2){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	123.2800	0.000	1	123.2800	0.000	1	123.1565	0.031	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	120.8850	0.000	1	120.8850	0.000	1	120.7113	0.307	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	121.1580	0.000	1	121.1580	0.000	1	120.7113	0.307	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	120.0910	0.000	1	120.0910	0.000	1	120.7113	0.307	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CHO){1|H<1>,5|C<3>}	122.9060	0.000	1	122.9060	0.000	1	122.2843	0.291	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO){1|H<1>,5|C<3>}	121.9735	0.050	2	121.9735	0.003	2	122.2843	0.291	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.8882	0.232	4	122.8882	0.054	4	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.6690	1.301	3	122.6690	1.692	3	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.1710	0.610	2	123.1710	0.372	2	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.0790	0.000	1	122.0790	0.000	1	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.0747	0.551	3	122.0747	0.304	3	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.7820	0.000	1	120.7820	0.000	1	122.4991	0.753	14	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){4|C<3>}	122.0850	0.000	1	122.0850	0.000	1	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(COO){4|C<3>}	121.8370	0.000	1	121.8370	0.000	1	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){4|C<3>}	121.6250	0.000	1	121.6250	0.000	1	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(COO){3|C<3>}	121.5475	1.005	2	121.5475	1.010	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O){1|H<1>,3|C<3>}	122.8995	0.059	2	122.8995	0.003	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|C<4>,3|C<3>}	122.6410	0.000	1	122.3810	0.135	8	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	122.1240	0.349	4	122.3810	0.135	8	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<3>,3|C<3>}	122.6370	0.159	3	122.3810	0.135	8	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{1|F<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO){1|F<1>,5|C<3>}	122.5840	0.000	1	122.2675	0.200	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO){6|C<3>}	121.9510	0.000	1	122.2675	0.200	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	122.1750	0.520	2	122.1750	0.271	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|S<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(COO){1|S<2>,3|C<3>}	122.9565	0.452	2	122.9565	0.204	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C){1|H<1>,3|C<3>}	123.5710	0.000	1	123.5710	0.000	1	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	122.8245	0.129	2	122.6240	0.129	3	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	122.2230	0.000	1	122.6240	0.129	3	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<2>,2|C<3>}	122.8412	0.438	9	122.8412	0.191	9	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	121.7897	0.182	3	121.7897	0.033	3	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,2|C<3>}	121.8990	0.098	2	121.8990	0.010	2	122.4223	0.345	39	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,6|C<3>}	123.2770	0.000	1	123.2770	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	121.5787	0.639	9	121.5787	0.408	9	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	117.4940	0.622	2	117.8920	0.342	4	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.2900	0.079	2	117.8920	0.342	4	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	123.2060	0.000	1	123.2060	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,5|C<3>}	122.2310	0.000	1	122.2310	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	122.8520	0.000	1	122.8520	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	122.5910	0.000	1	122.4240	0.056	2	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){2|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	122.2570	0.000	1	122.4240	0.056	2	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,5|C<3>}	121.9930	0.000	1	121.9930	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a]N[6a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.6755	0.528	2	121.6755	0.279	2	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	124.8440	0.000	1	124.8440	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]2)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	123.3505	0.149	2	123.3505	0.022	2	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,7|C<3>}	N[6a](C[6a]C[6a]2)2{1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,2|H<1>,7|C<3>}	122.1240	0.000	1	122.1240	0.000	1	121.5847	3.418	26	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])2(NCH){5|C<3>}	121.2248	0.210	4	121.2248	0.044	4	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	120.4561	0.973	8	120.4561	0.946	8	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NFeC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NFeC){1|H<1>,1|N<2>,2|C<3>}	122.2635	0.275	4	122.2635	0.076	4	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,2|C<3>}	119.0040	0.000	1	119.0040	0.000	1	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,1|N<2>,2|C<3>}	121.1875	0.078	2	121.1875	0.006	2	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	119.8570	0.000	1	119.8570	0.000	1	120.9419	1.118	20	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[6a]N[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[6a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.2603	0.451	3	122.2603	0.204	3	122.2603	0.204	3	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	122.7226	0.496	11	122.7226	0.246	11	122.7360	0.226	12	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	122.8830	0.000	1	122.8830	0.000	1	122.7360	0.226	12	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	123.5270	0.000	1	123.5270	0.000	1	122.8746	0.481	12	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	123.2000	0.000	1	123.2000	0.000	1	122.8746	0.481	12	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	122.7768	0.720	10	122.7768	0.518	10	122.8746	0.481	12	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	121.9330	0.478	2	121.9330	0.228	2	121.9330	0.228	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2){1|N<2>,2|N<3>,5|C<3>}	124.8105	0.252	2	124.8105	0.064	2	124.8105	0.064	2	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	124.6658	0.416	4	124.6658	0.173	4	124.3440	1.129	6	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	125.0940	0.000	1	125.0940	0.000	1	124.3440	1.129	6	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	122.3070	0.000	1	122.3070	0.000	1	124.3440	1.129	6	122.2266	1.754	158	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	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[6a]-3:C-4:	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH)	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[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	123.4395	0.067	2	123.4395	0.005	2	123.4395	0.005	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	123.1830	0.000	1	123.1830	0.000	1	123.4900	0.188	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a])	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|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[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	123.7970	0.000	1	123.7970	0.000	1	123.4900	0.188	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH){1|C<4>,5|C<3>}	124.1630	0.000	1	124.1630	0.000	1	123.8380	0.211	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	123.5130	0.000	1	123.5130	0.000	1	123.8380	0.211	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,5|C<3>}	122.7530	0.346	2	122.7530	0.120	2	122.9824	0.368	5	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,5|C<3>}	123.0300	0.000	1	123.0300	0.000	1	122.9824	0.368	5	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[5]HH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[5]HH){1|H<1>,5|C<3>}	123.9500	0.000	1	123.9500	0.000	1	122.9824	0.368	5	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	122.4260	0.000	1	122.4260	0.000	1	122.9824	0.368	5	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	123.6440	0.239	2	123.6440	0.057	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	123.4317	0.153	3	123.4317	0.023	3	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	122.7860	0.000	1	122.7860	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	123.7290	0.633	7	123.7290	0.401	7	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	123.5393	0.703	3	123.5393	0.494	3	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){4|C<3>}	122.0950	0.214	2	122.0950	0.046	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	124.2130	0.000	1	124.2130	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH){1|C<2>,5|C<3>}	123.7100	0.000	1	123.7100	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH)	C[6a](C[6a]C[6a]2)(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[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,3|C<3>}	123.0660	0.000	1	123.0660	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	123.8290	0.000	1	123.8290	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3){1|C<4>,3|C<3>}	122.6430	0.000	1	122.6430	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3){3|C<3>}	122.0010	0.000	1	122.0010	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO){3|C<3>}	121.4020	0.000	1	121.4020	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP){3|C<3>}	121.0150	0.000	1	121.0150	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH){3|C<3>}	119.6970	0.000	1	119.6970	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(CH3){3|C<3>}	123.1090	0.000	1	123.1090	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	121.5525	0.466	2	121.5525	0.217	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH){1|H<1>,2|C<4>,3|C<3>}	122.6160	0.000	1	122.6160	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH){3|C<3>}	122.4590	1.003	2	122.4590	1.005	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH){3|C<3>}	122.1600	0.000	1	122.1600	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	122.5880	0.000	1	122.5880	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	123.0150	0.000	1	123.0150	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	122.0100	0.727	2	122.0100	0.528	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<2>,2|C<3>}	122.8785	4.552	2	122.8785	20.717	2	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	121.9510	0.000	1	121.9510	0.000	1	122.8316	1.565	41	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(SNOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(SNOO){1|H<1>,3|C<3>}	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|Si<4>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(SiC3){3|C<3>}	123.5600	0.037	2	123.5600	0.001	2	123.5600	0.001	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	126.2420	0.096	2	126.2420	0.009	2	126.2420	0.009	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	122.1770	0.000	1	122.1770	0.000	1	122.5645	0.300	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.5645	0.300	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	120.7320	0.000	1	120.7320	0.000	1	121.3075	0.662	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH)	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	121.8830	0.000	1	121.8830	0.000	1	121.3075	0.662	2	123.0088	1.755	63	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:3:2:	3:3:	4:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:2:2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	118.7800	0.068	2	118.7800	0.005	2	118.7800	0.005	2	118.7800	0.005	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:2:3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(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]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:As-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(AsC[6a]2Pt)(N[6a]C[6a])	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(AsC[6a]2Pt)(N[6a]C[6a]){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>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	124.4708	0.150	6	124.4708	0.022	6	124.4708	0.022	6	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.6930	0.000	1	121.6930	0.000	1	122.7015	2.034	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.7100	0.000	1	123.7100	0.000	1	122.7015	2.034	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2C)(N[6a]C[6a]){2|C<3>,5|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.2440	0.000	1	122.2440	0.000	1	121.9895	0.130	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[3]C[3]2H)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	121.7350	0.000	1	121.7350	0.000	1	121.9895	0.130	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[3x6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]N[6a])(H){1|H<1>,3|C<3>,3|C<4>}	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2C)(N[6a]C[6a]){2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.0725	0.060	2	121.0725	0.004	2	121.7066	0.289	10	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[4]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[4]C[4]2H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.8651	0.477	8	121.8651	0.228	8	121.7066	0.289	10	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Fe)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]2Fe)(N[6a]C[6a]){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	122.9490	0.000	1	122.9490	0.000	1	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.3580	0.000	1	122.3580	0.000	1	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9307	0.567	6	122.0659	0.331	8	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.4715	0.515	2	122.0659	0.331	8	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2C)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.0160	0.000	1	123.0160	0.000	1	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.5930	0.000	1	122.7480	2.668	2	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.9030	0.000	1	122.7480	2.668	2	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[5]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[5]N[5]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,4|H<1>,4|N<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.5745	0.777	2	122.5745	0.604	2	122.3663	0.532	15	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){1|C<3>,2|N<3>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.4890	0.369	2	121.4743	0.069	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(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>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.4450	0.000	1	121.4743	0.069	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3320	0.000	1	121.3320	0.000	1	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.9500	0.000	1	121.9500	0.000	1	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.6742	0.539	6	121.6742	0.290	6	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|O<2>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4800	0.000	1	122.1460	0.428	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|S<2>,6|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.7880	0.000	1	122.1460	0.428	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.1700	0.000	1	122.1460	0.428	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.9450	0.069	3	121.9450	0.005	3	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2125	0.480	4	122.2125	0.230	4	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.7410	0.000	1	121.7410	0.000	1	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.1000	0.195	4	122.1000	0.038	4	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.0433	0.123	3	122.4046	0.365	5	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|N<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.4220	0.000	1	122.4046	0.365	5	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.4710	0.000	1	122.4046	0.365	5	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a]){2|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|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	120.7295	0.074	2	120.7295	0.006	2	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.9690	0.000	1	122.9690	0.000	1	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|O<2>}	124.6550	0.000	1	124.6550	0.000	1	122.0034	0.560	35	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a])	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a]){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.0410	0.000	1	126.0410	0.000	1	125.6585	0.293	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a])	N[6a](C[6a]C[6a]Se)2	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a]){1|Se<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	125.2760	0.000	1	125.2760	0.000	1	125.6585	0.293	2	122.3476	1.220	75	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:N[6]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(N[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	125.8080	0.000	1	125.8080	0.000	1	125.8080	0.000	1	125.8080	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	3:4:2:	3:3:	3:3:4:	C[6a]-3:C[3]-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH)	C[6a](C[6a]C[6a]C)(C[3]C[3]2H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3]){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH){1|H<1>,2|C<4>,3|C<3>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:2:3:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	124.2700	0.503	3	124.2700	0.253	3	124.2700	0.253	3	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[3x6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a])	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]C[6a]){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	124.0310	0.000	1	124.0310	0.000	1	124.6328	0.815	8	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	124.8303	0.443	4	124.7187	0.882	7	124.6328	0.815	8	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a])	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,5,6]C[6a]){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,5,6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	124.5700	1.515	3	124.7187	0.882	7	124.6328	0.815	8	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H)	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:2:3:	3:3:	3:3:1:	C[6]-4:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(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|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	123.1440	0.000	1	123.1440	0.000	1	123.1440	0.000	1	124.1224	1.333	14	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]N[6a])	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]N[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(N[6a]C[6a]){1|Fe<10>,1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<10>,1|Cl<1>,1|N<2>,2|C<4>}	121.3655	0.142	2	121.3655	0.020	2	121.3655	0.020	2	121.3655	0.020	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:1:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]B[5,5]N[6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	120.5334	0.695	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H)	C[6a](C[5]C[5]2Fe)(C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	120.2635	0.672	4	120.2635	0.452	4	120.2635	0.452	4	120.5334	0.695	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2830	0.004	2	121.2830	0.000	2	121.1753	0.016	4	120.5334	0.695	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,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>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	121.0300	0.000	1	121.0675	0.003	2	121.1753	0.016	4	120.5334	0.695	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[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]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1050	0.000	1	121.0675	0.003	2	121.1753	0.016	4	120.5334	0.695	9	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	As-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){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>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	126.1760	1.693	4	126.1760	2.865	4	126.1760	2.865	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	B-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]B)(H)	C[6a](BC[6a]2C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]B)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]B)(H){1|C<3>,1|H<1>}	118.9849	0.610	10	118.9849	0.372	10	118.9849	0.372	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	119.0850	0.000	1	119.0850	0.000	1	120.1920	2.451	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	B[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	C[6a](C[6a]B[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	121.2990	0.000	1	121.2990	0.000	1	120.1920	2.451	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.6040	0.000	1	122.6040	0.000	1	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.2372	0.180	4	123.2372	0.033	4	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5,6]C[6a]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.0240	0.000	1	122.0240	0.000	1	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9770	0.000	1	121.9770	0.000	1	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.8970	0.000	1	122.8970	0.000	1	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.5004	0.585	11	122.5004	0.342	11	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	122.7700	0.000	1	122.7700	0.000	1	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[6a]C[6]N)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	121.9218	0.387	4	121.9218	0.149	4	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0943	0.468	3	123.0943	0.219	3	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	123.0549	0.512	10	123.0549	0.262	10	122.7093	0.376	37	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3,6]C[6a]O[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.5590	0.000	1	123.5590	0.000	1	123.1900	0.282	9	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.0390	0.000	1	123.0390	0.000	1	123.1900	0.282	9	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]N[3]O[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]N[3]O[3])(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[3])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.9467	0.280	4	122.9467	0.079	4	123.1900	0.282	9	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[6a]O[3]P[3])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cr<6>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	123.8790	0.539	2	123.8790	0.290	2	123.1900	0.282	9	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]N[3]O[3]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	122.5670	0.000	1	122.5670	0.000	1	123.1900	0.282	9	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	119.9730	0.000	1	119.9730	0.000	1	121.0655	0.536	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,8|H<1>}	N[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	121.4297	0.093	3	121.4297	0.009	3	121.0655	0.536	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4,4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[4,4]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,4]Ge[4,4]2P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	N[6a](C[6a]C[4,4]C[6a])(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6a]C[4,4]N[6a])(C[6a]C[6a]H)(H){2|Ge<3>,1|C<3>,1|H<1>,1|P<4>}	120.7385	0.185	2	120.7385	0.034	2	120.7385	0.034	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[4,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,5]C[4,5]C[5]O[4])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[4,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4,6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[4,6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[4,6,6]Ge[4,6,6]Ge[3x6]P[4])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|N<3>,4|C<4>}	N[6a](C[6a]C[4,6,6]C[6a])(C[6a]C[6a]C){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6a]C[4,6,6]N[6a])(C[6a]C[6a]H)(H){2|Ge<3>,1|C<3>,1|H<1>,1|P<4>}	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.7485	0.141	2	121.6505	0.021	4	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4,6]C[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.5525	0.062	2	121.6505	0.021	4	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|Fe<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|Fe<9>,1|C<3>,1|H<1>,2|C<4>}	121.8858	0.135	4	121.8858	0.018	4	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]N[4]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]N[4]C)(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[4])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3660	0.000	1	122.3660	0.000	1	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6340	0.000	1	122.6340	0.000	1	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[4]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.4095	0.202	2	123.4095	0.041	2	122.1637	0.444	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.2970	0.000	1	123.2970	0.000	1	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.2380	0.000	1	121.8960	0.234	2	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5540	0.000	1	121.8960	0.234	2	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.9280	0.000	1	122.7825	0.127	4	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.7340	0.420	3	122.7825	0.127	4	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.8550	0.000	1	122.8550	0.000	1	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,5]C[6a])2	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	N[6a](C[6a]C[5,5]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[6a]C[5,5]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.4877	1.147	4	122.4877	1.315	4	122.5854	0.571	12	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.6250	0.120	2	122.6250	0.014	2	122.9002	0.208	5	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.1050	0.000	1	123.1050	0.000	1	122.9002	0.208	5	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6050	0.000	1	123.0730	0.566	2	122.9002	0.208	5	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.5410	0.000	1	123.0730	0.566	2	122.9002	0.208	5	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	120.3930	0.000	1	120.3930	0.000	1	119.6517	0.627	3	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]Br)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	119.2810	0.656	2	119.2810	0.431	2	119.6517	0.627	3	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.3595	0.237	2	123.3595	0.056	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	124.5055	0.180	2	124.1260	0.448	3	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.3670	0.000	1	124.1260	0.448	3	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]2C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.8020	0.677	2	121.8020	0.459	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[5])(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[5])(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	122.9340	0.000	1	122.9340	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	122.3535	0.204	2	122.3662	0.668	12	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<10>,1|Br<1>,1|C<3>,2|C<4>}	121.2480	0.000	1	122.3662	0.668	12	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	122.4932	0.859	9	122.3662	0.668	12	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|Fe<10>,1|C<2>,2|C<4>,3|C<3>}	122.8043	0.225	3	122.8043	0.051	3	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]H)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]H)(H){1|Fe<10>,1|C<3>,2|C<4>}	120.3690	0.000	1	120.3690	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)(H){1|Fe<10>,1|C<3>,2|C<4>}	120.3770	0.000	1	120.3770	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]N[6a]O)(H){1|Fe<10>,1|C<3>,2|C<4>}	121.4090	0.000	1	121.4090	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C[5])(H)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[5])2{2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]C[5])(H){2|Fe<10>,1|C<3>,1|H<1>,4|C<4>}	120.5525	2.029	2	120.5525	4.116	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Re)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Re)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Re<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Re<8>,1|C<3>,1|H<1>,2|C<4>}	121.0250	0.000	1	121.0250	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	121.7550	0.000	1	122.4465	0.956	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]2Ru)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<8>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	123.1380	0.000	1	122.4465	0.956	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3520	0.000	1	122.0620	0.168	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	121.7720	0.000	1	122.0620	0.168	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.2430	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7690	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9880	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	120.2890	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.0580	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1820	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.0820	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3620	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.9960	0.000	1	122.3299	0.949	9	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])2	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[5])2{1|C<3>,2|C<4>,2|N<4>,4|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	123.4740	0.000	1	123.4740	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	122.3420	0.000	1	122.3420	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.9220	0.000	1	122.0675	0.869	4	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9070	0.000	1	122.0675	0.869	4	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2650	0.000	1	122.0675	0.869	4	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.1760	0.000	1	122.0675	0.869	4	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.3530	0.000	1	123.3530	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5350	0.000	1	122.9305	0.313	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.3260	0.000	1	122.9305	0.313	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]C[6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Au<2>,1|C<4>,1|H<1>,6|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.4315	0.128	2	122.4315	0.016	2	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5,6]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5,6]N[5]H)(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[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.9800	0.000	1	123.9800	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	123.2000	0.000	1	123.2000	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	122.7940	0.000	1	122.7940	0.000	1	122.4074	1.098	57	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.2405	0.226	2	122.2405	0.051	2	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6610	0.000	1	123.7340	0.011	2	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	123.8070	0.000	1	123.7340	0.011	2	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.4920	0.000	1	123.0750	0.359	3	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	123.3665	0.456	2	123.0750	0.359	3	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.4347	0.174	3	122.4347	0.030	3	122.8478	0.424	10	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.3405	0.111	2	120.3405	0.012	2	120.5978	0.147	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(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]H){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	121.1410	0.000	1	120.8550	0.164	2	120.5978	0.147	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.5690	0.000	1	120.8550	0.164	2	120.5978	0.147	4	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|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|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.0510	0.000	1	123.0510	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.0053	0.256	4	122.0053	0.065	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.8720	0.000	1	121.8720	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.1030	0.440	3	122.1030	0.194	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.8480	0.208	3	121.5710	0.336	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7400	0.000	1	121.5710	0.336	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.1610	0.000	1	122.1610	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.6410	0.380	3	121.6410	0.145	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.1580	0.000	1	122.1580	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2840	0.000	1	122.2840	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	122.7760	0.547	2	122.7760	0.300	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(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{4|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	123.0715	0.151	2	123.0715	0.023	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.1830	0.000	1	123.1830	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.5895	0.120	2	123.3727	0.095	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.1560	0.290	2	123.3727	0.095	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5830	0.522	2	122.7201	0.156	8	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7658	0.392	6	122.7201	0.156	8	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.8767	0.547	3	123.8767	0.299	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.9595	0.226	2	123.9595	0.051	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(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]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4400	0.000	1	122.4400	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,2|C<4>}	122.1510	0.000	1	122.5527	0.672	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,2|C<4>}	123.4960	0.000	1	122.5527	0.672	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,2|C<4>}	122.0110	0.000	1	122.5527	0.672	3	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(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|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.0340	0.000	1	121.0340	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	122.5495	0.442	2	122.5495	0.195	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.0350	0.000	1	123.0350	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	122.6120	0.000	1	122.6120	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	122.9025	0.093	2	122.9892	0.052	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,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>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.0760	0.341	2	122.9892	0.052	4	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.7570	0.000	1	122.9380	0.066	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.1190	0.000	1	122.9380	0.066	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	122.8220	0.000	1	122.6885	0.036	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,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>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5550	0.000	1	122.6885	0.036	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7413	0.493	4	122.6267	0.738	6	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3975	1.674	2	122.6267	0.738	6	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	123.7680	0.506	3	123.7095	0.145	6	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<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>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.6510	0.311	3	123.7095	0.145	6	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|N<3>,2|C<3>,2|H<1>}	123.9270	0.000	1	123.5905	0.226	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<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>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.2540	0.000	1	123.5905	0.226	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.5050	0.000	1	124.5050	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.2560	0.000	1	123.2560	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(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|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.8300	0.051	2	122.8300	0.003	2	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	121.9195	0.254	4	122.0710	0.163	5	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.6770	0.000	1	122.0710	0.163	5	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])2{1|C<3>,2|C<4>,2|H<1>,4|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.9240	0.000	1	122.9240	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3080	0.000	1	123.3080	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]C)(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]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.8680	0.000	1	121.8680	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(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]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.0130	0.000	1	123.0130	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]N[6]H)(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]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.1390	0.000	1	123.1390	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	122.8690	0.000	1	122.8690	0.000	1	122.7348	0.607	87	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	P-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	C[6a](PC[6a]C[6]Mo)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	123.3225	0.692	2	123.3225	0.479	2	123.3225	0.479	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	P[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	123.4350	0.000	1	123.4350	0.000	1	123.1460	0.088	3	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	P[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]C)(H)	C[6a](P[6,6]C[3x6]2Pt)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]C)(H){1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	123.0015	0.226	2	123.0015	0.051	2	123.1460	0.088	3	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	Si-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H)	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Si)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	122.0120	0.250	2	122.0120	0.063	2	122.0120	0.063	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]H)(H)	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>}	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	121.7890	0.000	1	121.7890	0.000	1	122.4435	0.857	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	Si[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	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)	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]N)(H)	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>}	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,3|N<3>}	123.0980	0.000	1	123.0980	0.000	1	122.4435	0.857	2	122.4349	1.599	269	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:2:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(OC){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|S<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|C<3>,3|C<4>}	121.6560	0.000	1	121.2860	0.274	2	121.2860	0.274	2	122.2560	1.353	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:4:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[5]C[5]2Fe)(C[6a]C[6a]C)(N[6a]C[6a]){1|Sn<4>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,4|C<4>}	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|C<3>,3|C<4>}	120.9160	0.000	1	121.2860	0.274	2	121.2860	0.274	2	122.2560	1.353	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.2260	0.147	2	123.2260	0.022	2	123.2260	0.022	2	122.2560	1.353	4	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	5:3:2:	3:3:	3:3:1:	C[3]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](C[3]C[3]H[3]CN)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|H<1>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<5>,1|H<2>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|H<2>,1|N<2>}	125.8730	0.000	1	125.8730	0.000	1	125.8730	0.000	1	123.8065	8.541	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	5:3:2:	3:3:	3:3:1:	C[3x3,3x5,12x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,3x5,12x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,2|B<5>,3|B<6>,5|H<1>}	N[6a](C[6a]C[3x3,3x5,12x6]C[6a])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6a](C[6a]C[3x3,3x5,12x6]N[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<5>,1|H<1>,2|B<6>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	123.8065	8.541	2	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	5:3:2:	3:3:	3:3:2:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<5>,1|N<2>,3|C<3>,4|H<1>,5|B<6>}	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a]){2|C<3>,2|N<2>,4|B<6>}	C[6a](C[6a]C[3x3,4,3x5,14x6]N[6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,3|C<3>,4|B<6>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:2:3:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a,6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<6>,2|C<3>,4|B<6>}	124.5310	0.000	1	124.5310	0.000	1	124.5310	0.000	1	124.5310	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]B[5x3,5x5,20x6]N[6a])(C[6a]C[6a]C)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|C<6>,3|B<6>,6|H<1>}	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	C[6a](C[6a]B[5x3,5x5,20x6]N[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,5|B<6>}	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<2>,5|B<6>,5|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	123.4150	0.598	2	123.4136	0.315	7	123.4136	0.315	7	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,5|B<6>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	123.5900	0.218	2	123.4136	0.315	7	123.4136	0.315	7	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<6>,4|B<6>}	123.6840	0.000	1	123.4136	0.315	7	123.4136	0.315	7	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	123.8600	0.000	1	123.4136	0.315	7	123.4136	0.315	7	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	6:3:2:	3:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,5|B<6>,5|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	122.3410	0.000	1	123.4136	0.315	7	123.4136	0.315	7	123.1393	0.872	8	123.1068	2.432	40520	122.9909	2.417	48521
643	371	643	6:SP2_SP2_SP2	C[6a]	N[6a]	C[6a]	7:3:2:	3:3:	3:3:1:	C[3]-7:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](C[3]H[3]2H4)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N){1|C<3>,2|H<2>,6|H<1>}	C[6a](C[6a]N[6a]C[3])(C[6a]C[6a]C)(H){1|C<3>,2|H<2>,5|H<1>}	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	123.1068	2.432	40520	122.9909	2.417	48521