643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2)	B[5](C[6a]C[5,6a]2)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2){1|Se<2>,1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[5,6a]2)(O[5]C[5])2{1|Se<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.8315	0.153	2	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2)	B[5](C[6a]C[5,6a]2)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(B[5]O[5]2){1|Se<2>,1|H<1>,2|C<4>,4|C<3>}	B[5](C[6a]C[5,6a]2)(O[5]C[5])2{1|Se<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	122.1080	0.000	1	122.1080	0.000	1	122.1080	0.000	1	122.1080	0.000	1	121.8315	0.153	2	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2{1|S<2>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]B[5])(S[5a]C[5a]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	123.1870	0.330	2	123.1870	0.109	2	123.1870	0.109	2	124.5002	2.362	4	123.7927	5.718	9	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5,5])2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(N[5a]S[5a]){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	125.8135	0.282	2	125.8135	0.080	2	125.8135	0.080	2	124.5002	2.362	4	123.7927	5.718	9	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2)	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	B[5](C[6a]C[5a,6a]2)(O[5]C[5])2{1|S<2>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]B[5])(C[5a]C[5a]H){1|Si<4>,1|B<3>,1|C<3>,1|S<2>,2|O<2>}	121.2365	0.260	2	121.2365	0.067	2	121.2365	0.067	2	123.2266	8.763	5	123.7927	5.718	9	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]B[5]){2|O<2>,3|C<3>,3|H<1>}	128.2620	0.000	1	128.2620	0.000	1	128.2620	0.000	1	123.2266	8.763	5	123.7927	5.718	9	123.4361	5.219	11
643	2	727	0:SP2_SP2_SP2	C[6a]	B[5]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2)	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(B[5]O[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[6a]C[5a,6a]C[6a])(O[5]C[5])2{1|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H){1|C<3>,2|O<2>,4|H<1>}	122.6990	1.073	2	122.6990	1.152	2	122.6990	1.152	2	123.2266	8.763	5	123.7927	5.718	9	123.4361	5.219	11
643	3	643	0:SP2_SP2_SP2	C[6,6a]	B[5a,6]	C[6a]	3:3:3:	3:3:2:	3:3:3:	B[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5,5a,6]-3:C[6,6a]-3:O[5a]-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2)	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|B<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]B[5a,6]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	126.8860	0.000	1	126.8860	0.000	1	126.8860	0.000	1	126.8860	0.000	1	126.8860	0.000	1	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5a]O[5a]2)(C[6a]C[6a]F)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[5a]O[5a]2)(C[6a]C[6a]F)2{2|F<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|O<2>}	122.3487	0.339	4	122.3487	0.115	4	122.3487	0.115	4	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.2275	0.194	2	121.0903	1.339	6	121.0903	1.339	6	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	120.9665	0.187	2	121.0903	1.339	6	121.0903	1.339	6	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]O[5a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	121.0770	2.560	2	121.0903	1.339	6	121.0903	1.339	6	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(B[5a]O[5a]2)(C[6a]C[6a]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H)	C[6a](C[6a]C[5,6a]H)(B[5a]O[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	120.2180	0.000	1	120.2180	0.000	1	120.2180	0.000	1	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|O<2>}	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(B[5a]O[5a]2)(C[6a]C[6a]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(B[5a]O[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	120.8550	0.000	1	120.8550	0.000	1	118.9065	7.593	2	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(B[5a]O[5a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|O<2>}	116.9580	0.000	1	116.9580	0.000	1	118.9065	7.593	2	121.5001	4.941	14	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5a]N[5a]O[5a])(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[5a]N[5a]O[5a])(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|N<3>,1|O<2>,2|F<1>}	122.4195	1.941	2	122.4195	3.768	2	122.4195	3.768	2	122.4195	3.768	2	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)2	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6435	6.229	2	121.6435	38.799	2	121.6435	38.799	2	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){2|Rh<6>,2|H<1>,3|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.4315	2.535	2	121.6530	2.483	4	121.5400	3.583	12	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]C){3|C<3>,3|H<1>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.8745	0.909	2	121.6530	2.483	4	121.5400	3.583	12	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,2|N<3>,3|H<1>}	B[5a](C[6a]C[6a]2)(N[5a]B[5a]N)(N[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.5595	3.260	2	121.5595	10.631	2	121.5400	3.583	12	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2	C[6a](C[6a]B[5a]C[6a])2(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|B<3>,2|C<4>,3|C<3>}	B[5a](C[6a]C[6a]2)(N[5a]C[5a]C)2{2|C<3>,4|H<1>}	C[6a](C[6a]B[5a]C[6a])2(H){1|C<3>,2|H<1>,4|N<3>}	121.4582	2.061	6	121.4582	4.247	6	121.5400	3.583	12	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7950	3.977	2	121.7950	15.815	2	121.7950	15.815	2	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	B[5a](N[5a,6]B[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]C){1|B<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.6835	1.157	4	121.6835	1.339	4	121.6835	1.339	4	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5505	2.026	2	121.5505	4.104	2	121.5505	4.104	2	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a,6a]2)(C[6a]C[6a]H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.7220	1.176	4	121.7220	1.384	4	121.7220	1.384	4	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(F)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<2>,3|C<3>,3|H<1>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|F<1>,5|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	123.1292	1.630	4	123.1292	2.656	4	123.1292	2.656	4	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	121.5793	1.912	4	121.7048	4.512	6	121.7048	4.512	6	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	B[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	121.9560	3.377	2	121.7048	4.512	6	121.7048	4.512	6	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|N<3>}	122.3940	1.239	3	122.3940	1.535	3	122.7694	1.445	5	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(F)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]F)2{1|N<2>,2|H<1>,4|C<3>}	B[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|F<1>,7|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	123.3325	1.286	2	123.3325	1.654	2	122.7694	1.445	5	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<3>}	121.8000	1.707	2	121.2982	0.843	6	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.0473	0.426	4	121.2982	0.843	6	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	B[5a](N[5a]C[5a,6]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.0210	0.127	2	121.0210	0.016	2	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]C)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	121.2617	1.113	3	121.2617	1.239	3	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,2|C<4>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	121.7837	0.910	3	121.4666	0.956	29	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|N<3>}	121.4576	0.887	8	121.4666	0.956	29	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<3>}	121.5920	1.096	6	121.4666	0.956	29	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	121.5905	0.342	2	121.4666	0.956	29	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|N<3>}	121.2785	1.187	10	121.4666	0.956	29	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|N<3>}	121.0983	1.229	6	121.0983	1.510	6	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	119.4200	0.000	1	121.3506	1.025	11	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.4507	0.905	8	121.3506	1.025	11	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	121.9155	0.275	2	121.3506	1.025	11	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	B[5a](N[5a]C[5a,6a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<3>}	121.8020	0.000	1	121.8020	0.000	1	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.0825	1.273	2	121.4068	0.357	12	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.7977	0.301	6	121.4068	0.357	12	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.9825	0.047	4	121.4068	0.357	12	121.3754	0.818	70	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(B[5a]N[5a]2)(C[6a]C[6a]H)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[5a]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)(B[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[5a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>,2|N<3>}	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(B[5a]N[5a]2)(C[6a]C[6a]H)	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(B[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.1610	0.000	1	122.1610	0.000	1	120.6915	4.319	2	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H)	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(B[5a]N[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	119.2220	0.000	1	119.2220	0.000	1	120.6915	4.319	2	121.5922	2.103	115	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)2	B[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CCCH)	C[6a](B[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|B<3>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	121.3995	3.249	2	121.3995	10.557	2	121.3995	10.557	2	121.3995	10.557	2	121.5975	2.390	135	121.6364	2.578	136
643	3	643	0:SP2_SP2_SP2	C[6a]	B[5a]	C[6a]	3:3:3:	4:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-4:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5a]N[5a]2)(C[6a]C[6a]H)2{2|Rh<6>,1|B<3>,1|C<3>,2|H<1>,2|N<3>}	B[5a](N[5a]N[5a]Rh2)(C[6a]C[6a]2)(N[5a]B[5a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	121.9595	0.450	2	121.9595	0.203	2	121.9595	0.203	2	121.9595	0.203	2	121.5975	2.390	135	121.6364	2.578	136
643	3	643	6:SP2_SP2_SP2	C[6,6a]	B[5a,6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	B[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5,5a,6]-3:C[6,6a]-3:O[5a]-2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2)	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|B<3>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	116.0110	4.227	6
643	3	643	6:SP2_SP2_SP2	C[6a]	B[5a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	117.4005	0.265	2	117.1933	0.164	3	116.8214	0.358	5	116.8214	0.358	5	116.8214	0.358	5	116.0110	4.227	6
643	3	643	6:SP2_SP2_SP2	C[6a]	B[5a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	116.7790	0.000	1	117.1933	0.164	3	116.8214	0.358	5	116.8214	0.358	5	116.8214	0.358	5	116.0110	4.227	6
643	3	643	6:SP2_SP2_SP2	C[6a]	B[5a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	116.4470	0.000	1	116.2635	0.067	2	116.8214	0.358	5	116.8214	0.358	5	116.8214	0.358	5	116.0110	4.227	6
643	3	643	6:SP2_SP2_SP2	C[6a]	B[5a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[6a]B[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|N<3>}	116.0800	0.000	1	116.2635	0.067	2	116.8214	0.358	5	116.8214	0.358	5	116.8214	0.358	5	116.0110	4.227	6
643	3	951	0:SP2_SP-NON_SP2	C[6a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]B[5a,6a]C[6a])	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]B[5a,6a]C[6a])	124.2065	1.050	2	124.7540	1.451	3	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5
643	3	951	0:SP2_SP-NON_SP2	C[6a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]B[5a,6a]C[6a])	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]B[5a,6a]C[6a])	125.8490	0.000	1	124.7540	1.451	3	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5
643	3	951	0:SP2_SP-NON_SP2	C[6a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]B[5a,6a]C[6a])	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]B[5a,6a]C[6a])	121.7890	0.000	1	121.8825	0.017	2	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5
643	3	951	0:SP2_SP-NON_SP2	C[6a]	B[5a,6a]	H	3:3:1:	3:3:3:	3:	B[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]B[5a,6a]C[6a])	C[6a](B[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	B[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(C[6a]B[5a,6a]C[6a])	121.9760	0.000	1	121.8825	0.017	2	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5	123.6054	3.203	5
643	10	643	0:SP2_SP2_SPD6	C[6a]	P	C[6a]	3:3:6:	3:3:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:P-6:	C[6a]-3:C[5]-3:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(PC[5]F4)	P(C[6a]C[6a]2)(C[5]N[5]2)(F)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)2(PC[5]F4){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(F)4	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	120.9685	0.176	4	120.9685	0.031	4	120.9685	0.031	4	120.9685	0.031	4	120.9685	0.031	4	120.9685	0.031	4
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:2:2:	4:4:3:	3:3:	P[6,6]-3:N[6a]-2:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]N[6a]2)	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]N[6a]2){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	116.9900	6.798	2	116.9900	46.214	2	116.9900	46.214	2	116.9900	46.214	2	113.5538	22.395	8	113.5538	22.395	8
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:3:2:	4:4:3:	3:3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C)	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	110.8495	0.889	2	110.8495	0.790	2	112.4083	15.812	6	112.4083	15.812	6	113.5538	22.395	8	113.5538	22.395	8
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:3:2:	4:4:3:	3:3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.3280	0.000	1	114.3413	27.506	3	112.4083	15.812	6	112.4083	15.812	6	113.5538	22.395	8	113.5538	22.395	8
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:3:2:	4:4:3:	3:3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	110.5570	0.000	1	114.3413	27.506	3	112.4083	15.812	6	112.4083	15.812	6	113.5538	22.395	8	113.5538	22.395	8
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:3:2:	4:4:3:	3:3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	112.1390	0.000	1	114.3413	27.506	3	112.4083	15.812	6	112.4083	15.812	6	113.5538	22.395	8	113.5538	22.395	8
643	14	371	0:SP2_SP2_SP3	C[6a]	P[6,6]	N[6a]	3:3:2:	4:4:3:	3:3:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si)	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si){1|C<3>,2|C<4>,2|H<1>}	109.7270	0.000	1	109.7270	0.000	1	112.4083	15.812	6	112.4083	15.812	6	113.5538	22.395	8	113.5538	22.395	8
643	14	643	0:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|B<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.1049	0.600	9	120.1049	0.360	9	121.1383	1.946	15	121.4925	2.820	17	121.4925	2.820	17	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.6883	0.261	6	122.6883	0.068	6	121.1383	1.946	15	121.4925	2.820	17	121.4925	2.820	17	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2{1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.1830	0.000	1	123.1830	0.000	1	124.1490	1.866	2	121.4925	2.820	17	121.4925	2.820	17	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]P[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	125.1150	0.000	1	125.1150	0.000	1	124.1490	1.866	2	121.4925	2.820	17	121.4925	2.820	17	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6,6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|P<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,3|C<3>}	133.4175	3.170	2	133.4175	10.049	2	133.4175	10.049	2	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	116.8600	0.260	2	116.8600	0.068	2	118.1771	0.961	10	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a]){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.0950	0.667	4	119.0950	0.445	4	118.1771	0.961	10	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.9685	0.349	2	117.9177	0.046	4	118.1771	0.961	10	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.8670	0.081	2	117.9177	0.046	4	118.1771	0.961	10	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6,6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	113.9295	0.057	2	113.9295	0.003	2	113.9295	0.003	2	119.7475	37.292	14	119.8423	34.763	15	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:2:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4: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])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|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>}	116.9070	0.000	1	116.9070	0.000	1	125.4835	18.481	6	125.4835	18.481	6	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:2:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4: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])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|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>}	127.3250	1.168	2	127.5275	0.658	4	125.4835	18.481	6	125.4835	18.481	6	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:2:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4: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])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|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>}	127.2580	0.000	1	127.5275	0.658	4	125.4835	18.481	6	125.4835	18.481	6	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:2:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4: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])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|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>}	128.2020	0.000	1	127.5275	0.658	4	125.4835	18.481	6	125.4835	18.481	6	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:2:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:N[6a]-2:	C[3x6]-4:C[3x6]-4: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])	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a])	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]N[6a]){2|C<3>,2|C<4>,5|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>}	125.8840	0.000	1	125.8840	0.000	1	125.4835	18.481	6	125.4835	18.481	6	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:2:1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H)	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|C<4>,2|H<1>}	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.0480	0.000	1	124.0480	0.000	1	121.2530	26.352	5	121.2530	26.352	5	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H)	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>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>}	116.2770	0.000	1	116.2770	0.000	1	121.2530	26.352	5	121.2530	26.352	5	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9320	8.041	2	120.9320	64.661	2	121.2530	26.352	5	121.2530	26.352	5	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){1|Se<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	124.0760	0.000	1	124.0760	0.000	1	121.2530	26.352	5	121.2530	26.352	5	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:2:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){1|Se<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|C<4>,2|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:4:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	122.9676	25.385	14	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6])	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){3|C<4>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a]){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	118.8670	0.344	2	118.8670	0.118	2	118.8670	0.118	2	118.8670	0.118	2	118.8670	0.118	2	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6a]C[6,6a]P[6])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]O[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){3|C<4>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a]){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]P[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	122.8445	0.350	2	122.8445	0.123	2	122.8445	0.123	2	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.4170	3.977	2	120.4170	15.815	2	120.4170	15.815	2	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[6]N[6]2)	P[6](C[6a]C[6a]2)(N[6]N[6]C)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[6]N[6]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	P[6](C[6a]C[6a]2)(N[6]N[6]C)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.5080	0.861	2	120.5080	0.742	2	120.5080	0.742	2	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	P[6]-3:P[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[6]P[6]2)	P[6](P[6]C[6a]P[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[6]P[6]2){2|H<1>,2|P<3>,3|C<3>}	P[6](P[6]C[6a]P[6])2(C[6a]C[6a]2){1|P<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.4585	5.670	2	120.4585	32.152	2	120.4585	32.152	2	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]C[6,6a]2)(C[6a]C[6a]H)2	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.6055	1.927	2	120.7352	9.030	4	120.7352	9.030	4	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]C[6,6a]2)(C[6a]C[6a]H)2	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8650	4.828	2	120.7352	9.030	4	120.7352	9.030	4	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]C[6,6a]C[6])(C[6a]C[6a]H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3150	2.749	4	120.3150	7.557	4	120.3150	7.557	4	120.8245	6.807	17	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:P[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[6])(P[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	120.1340	4.955	2	120.1340	24.556	2	120.1340	24.556	2	120.1340	24.556	2	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	P[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]C[6]P[6])(C[6a]C[6a]H)2	P[6](P[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]C[6]P[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	P[6](P[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.7450	1.148	2	120.7450	1.319	2	120.7450	1.319	2	120.7450	1.319	2	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3){2|C<3>,3|C<4>}	120.4177	8.969	4	120.4177	80.449	4	119.5860	68.244	6	119.5860	68.244	6	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)2(P[6]C[6]2){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CC3){2|C<3>,3|C<4>}	117.9225	9.569	2	117.9225	91.571	2	119.5860	68.244	6	119.5860	68.244	6	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[6]C[6]2){2|H<1>,3|C<3>,6|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.7857	0.387	3	123.7857	0.150	3	122.2441	14.770	7	122.2441	14.770	7	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[6]C[6]2){1|C<3>,2|H<1>,6|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2{3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3395	8.688	2	121.3395	75.485	2	122.2441	14.770	7	122.2441	14.770	7	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(P[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|P<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8365	0.327	2	120.8365	0.107	2	122.2441	14.770	7	122.2441	14.770	7	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[6]C[6]2)	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(P[6]C[6]2){2|H<1>,3|C<3>,6|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	118.5757	0.452	3	118.5757	0.204	3	118.5757	0.204	3	118.5757	0.204	3	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	P[5,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]P[5,6]C[6])(C[6a]C[6a]H)2	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]P[5,6]C[6])(C[6a]C[6a]H)2{1|Si<4>,1|W<6>,2|H<1>,4|C<3>}	P[6](P[5,6]C[5,6,6a]C[5]W)(C[6a]C[6a]2)(C[6]C[6]Si){1|Si<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	120.3275	7.776	2	120.3275	60.467	2	120.3275	60.467	2	120.3275	60.467	2	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	P[6]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[6]C[5,6,6]2)(C[6a]C[6a]H)2	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H)	C[6a](P[6]C[5,6,6]2)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0985	0.452	2	121.0985	0.204	2	121.0985	0.204	2	121.0985	0.204	2	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:P[6]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2)	P[6](C[6,6]C[6]3)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2){2|H<1>,3|C<3>,6|C<4>}	P[6](C[6,6]C[6]3)2(C[6a]C[6a]2){12|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	126.7120	0.000	1	126.7120	0.000	1	126.7120	0.000	1	126.7120	0.000	1	120.6831	16.816	44	121.0037	18.428	92
643	14	643	0:SP2_SP2_SP3	C[6a]	P[6]	C[6a]	3:3:3:	4:4:3:	3:3:3:	C[6a]-3:C[6a]-3:P[6]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2)	P[6](C[6,6]C[6]3)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(P[6]C[6,6]2){2|H<1>,3|C<3>,6|C<4>}	P[6](C[6,6]C[6]3)2(C[6a]C[6a]2){12|H<1>,1|O<2>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	120.6831	16.816	44	121.0037	18.428	92
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.3738	0.174	5	117.3738	0.030	5	117.3738	0.030	5	116.9987	0.792	7	117.3941	0.674	16	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2{1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	117.1030	0.000	1	117.1030	0.000	1	116.0610	2.172	2	116.9987	0.792	7	117.3941	0.674	16	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Si)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	115.0190	0.000	1	115.0190	0.000	1	116.0610	2.172	2	116.9987	0.792	7	117.3941	0.674	16	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6,6a]	3:3:3:	3:3:3:	4:3:3:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	B[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])3{1|B<4>,3|H<1>,6|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]P[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	117.7017	0.653	9	117.7017	0.426	9	117.7017	0.426	9	117.7017	0.426	9	117.3941	0.674	16	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|O<2>,2|S<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	120.2618	0.229	4	120.0237	0.169	6	119.9150	0.231	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|S<2>,2|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	119.5475	0.078	2	120.0237	0.169	6	119.9150	0.231	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){1|C<2>,1|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{3|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	119.7465	0.142	4	119.7465	0.020	4	119.9150	0.231	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){1|C<2>,1|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{3|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	119.5785	0.568	4	119.9187	0.476	6	119.9150	0.231	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|S<2>,2|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	120.5990	0.156	2	119.9187	0.476	6	119.9150	0.231	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|O<2>,2|S<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	121.4183	0.373	4	121.2548	0.148	6	120.9002	0.211	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])(C[6,6a]C[6a]S[6])(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|S<2>,2|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	120.9280	0.065	2	121.2548	0.148	6	120.9002	0.211	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{1|O<2>,2|S<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	120.3285	0.268	4	120.6874	0.135	10	120.9002	0.211	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6,6a]	P[3x6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:P[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2)	P[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]S[6])2(P[3x6]C[6,6,6a]2){2|H<1>,5|C<3>}	P[3x6](C[6,6,6a]C[6,6a]2)3{3|S<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]P[3x6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|S<2>,4|C<3>}	120.9267	0.167	6	120.6874	0.135	10	120.9002	0.211	16	120.4076	0.464	32	120.4076	0.464	32	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:2:4:	3:3:3:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(P[6]C[6]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	119.2650	0.000	1	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P[6]-2:	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6,6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(P[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]P[6])(P[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|P<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(P[6]C[6,6a]){2|H<1>,4|C<3>}	103.0763	8.448	2	103.0763	71.369	2	103.0763	71.369	2	119.5572	83.752	10	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-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])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6,6a]C[6a]){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	123.2590	0.799	4	123.2590	0.638	4	123.6774	0.479	8	119.5572	83.752	10	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-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])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|P<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	124.0895	0.194	2	124.0957	0.013	4	123.6774	0.479	8	119.5572	83.752	10	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-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])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	124.1020	0.014	2	124.0957	0.013	4	123.6774	0.479	8	119.5572	83.752	10	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(P[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	122.9800	0.030	2	122.9800	0.001	2	122.9800	0.001	2	122.9800	0.001	2	120.8808	59.961	15	119.7549	15.900	63
643	14	643	6:SP2_SP2_SP3	C[6,6a]	P[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,3|H<1>}	126.2075	0.050	2	126.2075	0.003	2	126.2075	0.003	2	126.2075	0.003	2	120.8808	59.961	15	119.7549	15.900	63
643	18	371	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)(N[6a]C[6a])	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	N[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]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>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,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>}	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]F)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|F<1>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]F)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.1420	0.000	1	120.1420	0.000	1	119.7082	0.178	4	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.7795	0.047	2	119.7795	0.002	2	119.7082	0.178	4	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|O<2>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.1320	0.000	1	119.1320	0.000	1	119.7082	0.178	4	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|F<1>,1|N<3>,1|O<1>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.7710	0.000	1	120.2855	0.529	2	120.3157	0.267	3	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.8000	0.000	1	120.2855	0.529	2	120.3157	0.267	3	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,1|O<2>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]O)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.3760	0.000	1	120.3760	0.000	1	120.3157	0.267	3	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<6>,3|B<6>}	119.0500	0.000	1	119.0500	0.000	1	120.9407	2.744	3	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	C[6a](C[6,6a]B[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<6>,3|B<6>}	121.8860	0.355	2	121.8860	0.126	2	120.9407	2.744	3	120.1753	0.997	11	120.1753	0.997	11	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[4x3,4,5x5,21x6]	C[6a]	6:3:3:	6:6:5:5:6:3:	3:3:1:	B[4x3,4,5x5,21x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,14x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6a]C[6a]H)2	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6a])2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6a]C[6a]2)	C[6a](C[6a]B[4x3,4,5x5,21x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6a]C[6a]H)2{3|C<3>,5|B<6>,5|H<1>}	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6a])2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6a]C[6a]2){1|B<6>,6|C<3>,7|H<1>}	C[6a](C[6a]B[4x3,4,5x5,21x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<5>,2|H<1>,3|B<6>}	121.5175	4.376	2	121.3093	11.728	6	121.3093	11.728	6	121.3093	11.728	6	121.3093	11.728	6	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[4x3,4,5x5,21x6]	C[6a]	6:3:3:	6:6:5:5:6:3:	3:3:1:	B[4x3,4,5x5,21x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:C[3x3,4,3x5,14x6]-5:C[3x3,4,3x5,14x6]-5:B[5x3,4x5,19x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6a]C[6a]H)2	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6a])2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6a]C[6a]2)	C[6a](C[6a]B[4x3,4,5x5,21x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6a]C[6a]H)2{3|C<3>,5|B<6>,5|H<1>}	B[4x3,4,5x5,21x6](B[5x3,4x5,17x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2C[6a])2(B[5x3,4x5,19x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]2H)(C[6a]C[6a]2){1|B<6>,6|H<1>,7|C<3>}	C[6a](C[6a]B[4x3,4,5x5,21x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<5>,2|H<1>,3|B<6>}	121.2053	3.622	4	121.3093	11.728	6	121.3093	11.728	6	121.3093	11.728	6	121.3093	11.728	6	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[4x3,5,4x6]	C[6a]	6:3:3:	6:6:6:2:2:3:	3:3:1:	B[4x3,5,4x6]-6:C[6a]-3:C[6a]-3:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6a]C[6a]H)2	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6a]C[6a]2)	C[6a](C[6a]B[4x3,5,4x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(C[6a]C[6a]H)2{1|C<3>,4|B<6>,5|H<1>}	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(C[6a]C[6a]2){2|B<6>,2|C<3>,2|H<2>,6|H<1>}	C[6a](C[6a]B[4x3,5,4x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|H<2>,3|B<6>}	121.4690	0.938	2	121.4690	0.879	2	121.4690	0.879	2	121.4690	0.879	2	121.4690	0.879	2	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<5>,2|C<3>,3|C<4>,3|H<1>,4|B<6>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<5>,2|H<1>,4|B<6>}	121.6365	1.882	4	121.6365	3.540	4	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<4>,1|C<5>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|H<1>,4|B<6>}	121.7650	3.236	4	121.5124	6.479	28	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<4>,1|C<5>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<5>,1|H<1>,4|B<6>}	121.3905	2.917	4	121.5124	6.479	28	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<4>,1|C<5>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|H<1>,4|B<6>}	121.4197	3.069	8	121.5124	6.479	28	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<5>,3|C<3>,4|B<6>,5|H<1>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|H<1>,4|B<6>}	121.8397	2.268	4	121.5124	6.479	28	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,4x5,17x6]	C[6a]	6:3:3:	6:6:6:6:5:3:	3:3:1:	B[5x3,4x5,17x6]-6:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[6a]C[6a]H)2{1|C<5>,3|C<3>,4|B<6>,5|H<1>}	B[5x3,4x5,17x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]2B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,5x5,14x6]2H)(B[5x3,5x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]2B[5x3,5x5,14x6]H)(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]C)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,4x5,17x6]C[6a])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,2|C<3>,4|B<6>}	121.3760	2.257	8	121.5124	6.479	28	121.5279	5.987	32	121.5279	5.987	32	121.5279	5.987	32	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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])	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	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>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	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>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{2|C<6>,3|B<6>,3|C<3>,5|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])2(C[6a]C[6a]2){1|B<6>,6|H<1>,7|C<3>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	121.4232	0.734	4	121.4232	0.539	4	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,2|C<6>,3|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,5|B<6>}	121.6720	0.861	2	121.6720	0.742	2	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<6>,3|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2N)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,5|B<6>}	121.8850	0.580	4	121.8850	0.336	4	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|C<6>,4|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,5|B<6>}	121.3383	1.327	4	121.3383	1.762	4	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])3(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<6>,4|B<6>,4|C<3>,4|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])3(C[6a]C[6a]2){1|C<6>,7|H<1>,8|C<3>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	121.4870	1.430	4	121.4870	2.044	4	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2){1|C<4>,1|C<6>,2|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,5|B<6>}	121.5490	0.028	2	121.5490	0.001	2	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2){1|C<4>,1|C<6>,2|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	122.0995	0.252	2	122.0995	0.064	2	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6: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)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2){1|C<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,5|B<6>}	121.8140	1.345	4	121.8140	1.810	4	121.6320	0.869	26	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{4|C<3>,4|H<1>,5|B<6>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2){1|B<6>,5|H<1>,8|C<3>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	121.6298	3.125	10	121.6298	9.767	10	121.6298	9.767	10	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,3|B<6>}	121.7870	3.132	2	121.7870	9.812	2	121.3697	4.287	4	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,2|O<2>,4|H<1>,5|B<6>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2Rh)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)2(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	120.9525	1.534	2	120.9525	2.352	2	121.3697	4.287	4	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|N<2>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	114.5180	0.000	1	114.9385	0.354	2	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|N<2>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	115.3590	0.000	1	114.9385	0.354	2	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	116.5800	0.653	2	116.5800	0.427	2	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<2>,4|B<6>}	117.8230	0.484	2	117.8230	0.234	2	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,1|C<6>,1|N<3>,4|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	121.4605	0.962	2	121.4605	0.926	2	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<6>,1|N<2>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	117.0540	0.000	1	117.0540	0.000	1	117.6287	6.048	9	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	121.8665	3.026	2	121.8665	9.155	2	121.4208	3.429	6	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	121.1980	1.570	4	121.1980	2.465	4	121.4208	3.429	6	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|Fe<10>,1|B<6>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	121.7095	4.570	2	121.7095	20.885	2	121.5918	3.241	8	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>,5|B<6>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|N<2>,3|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,3|B<6>}	121.5810	0.000	1	121.5810	0.000	1	121.5918	3.241	8	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>,5|B<6>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|N<2>,3|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,3|B<6>}	121.6970	0.000	1	121.6970	0.000	1	121.5918	3.241	8	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{2|C<3>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,5|C<3>,6|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	121.5093	0.761	4	121.5093	0.580	4	121.5918	3.241	8	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ni)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]H)2{1|Ni<5>,1|B<7>,1|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ni)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,2|H<1>,3|B<6>}	121.9520	0.280	2	121.9520	0.078	2	121.9520	0.078	2	121.0466	5.211	65	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:2:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(CN)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(CN){1|C<3>,2|C<6>,2|H<1>,8|B<6>}	127.0050	0.853	2	127.0050	0.727	2	127.0050	0.727	2	126.5925	0.470	4	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:2:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<6>,5|B<6>,6|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN){1|C<3>,2|C<6>,2|H<1>,8|B<6>}	126.1800	0.033	2	126.1800	0.001	2	126.1800	0.001	2	126.5925	0.470	4	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]2)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|N<2>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,3|C<3>,5|H<1>}	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>}	128.9060	0.000	1	128.9060	0.000	1	128.5625	0.236	2	128.3027	0.321	3	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|N<2>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,3|C<3>,5|H<1>}	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>}	128.2190	0.000	1	128.2190	0.000	1	128.5625	0.236	2	128.3027	0.321	3	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<6>,1|N<2>,2|C<3>,4|B<6>,7|H<1>}	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	127.7830	0.000	1	127.7830	0.000	1	127.7830	0.000	1	128.3027	0.321	3	121.6648	7.971	75	121.4800	6.932	126
643	18	643	0:SP2_SP2_SPD6	C[6a]	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:4:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)2	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]C)2{1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,20x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<6>,2|C<4>,4|B<6>}	121.8085	0.226	2	121.8085	0.051	2	121.8085	0.051	2	121.8085	0.051	2	121.6648	7.971	75	121.4800	6.932	126
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]C[5x3,5x5,21x6]H)(C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	121.0580	0.000	1	121.0580	0.000	1	121.0580	0.000	1	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|F<1>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	119.7030	0.000	1	120.2488	0.151	4	120.2488	0.151	4	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|O<2>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	120.4260	0.000	1	120.2488	0.151	4	120.2488	0.151	4	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5x3,6x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,6x5,20x6]C[5x3,6x5,21x6]H)(C[5x3,6x5,21x6]B[5x3,5x5,20x6]3C[5x3,6x5,20x6]C[5,6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,6x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	120.4330	0.235	2	120.2488	0.151	4	120.2488	0.151	4	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|F<1>,1|N<3>,1|O<1>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	120.6290	0.000	1	120.6290	0.000	1	120.6560	0.040	3	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,1|O<2>,4|B<6>,5|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	120.4710	0.000	1	120.6695	0.079	2	120.6560	0.040	3	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,4|B<6>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]N[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]2C[5x3,5x5,20x6]2H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	120.8680	0.000	1	120.6695	0.079	2	120.6560	0.040	3	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<6>,3|B<6>,3|C<3>,3|H<1>}	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	18	643	6:SP2_SP2_SPD6	C[6,6a]	B[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,5|B<6>,7|H<1>}	B[5x3,5x5,21x6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<6>,3|B<6>,3|H<1>}	119.9245	0.733	2	119.9245	0.538	2	119.9245	0.538	2	120.4718	0.303	11	120.4718	0.303	11	120.4718	0.303	11
643	58	643	0:SP2_SP2_SP3	C[6a]	S[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	S[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](S[5]C[5,6a]O[5])(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Ge[5])	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H)	C[6a](S[5]C[5,6a]O[5])(C[6a]C[6a]H)2{1|Ge<3>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Ge[5]){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5660	1.946	2	119.5660	3.787	2	119.5660	3.787	2	119.5660	3.787	2	119.4490	6.342	10	119.4490	6.342	10
643	58	643	0:SP2_SP2_SP3	C[6a]	S[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(S[5]C[5]2)	S[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]C)	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(S[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	S[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]C){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7302	2.483	4	119.7302	6.166	4	119.7302	6.166	4	119.7302	6.166	4	119.4490	6.342	10	119.4490	6.342	10
643	58	643	0:SP2_SP2_SP3	C[6a]	S[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:S[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(S[5]C[5]2)	S[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]HH)	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(S[5]C[5]2){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	S[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]HH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.1725	3.985	2	119.1725	15.877	2	119.1725	15.877	2	119.1725	15.877	2	119.4490	6.342	10	119.4490	6.342	10
643	58	643	0:SP2_SP2_SP3	C[6a]	S[5]	C[6a]	3:3:3:	4:2:3:	3:3:1:	S[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](S[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H)	C[6a](S[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	119.4490	6.342	10	119.4490	6.342	10
643	58	643	0:SP2_SP2_SP3	C[6a]	S[5]	C[6a]	3:3:3:	4:2:3:	3:3:3:	S[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](S[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(COO)	C[6a](S[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]S[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	116.0380	0.000	1	119.4490	6.342	10	119.4490	6.342	10
643	70	643	0:SP2_SP-NON_SP2	C[6a]	P	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:P-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(P)	P(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	C[6a](C[6a]C[6a]C)2(P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	121.9726	2.336	10	121.9726	5.457	10	121.9726	5.457	10	121.9726	5.457	10	121.9726	5.457	10	121.9726	5.457	10
643	74	371	0:SP2_SP2_SP2	C[6a]	N[4]	N[6a]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:As[4]-3:As[4]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[4]As[4]2)(N[6a]C[6a])	N[4](C[6a]C[6a]N[6a])(As[4]N[4]Cl)2	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	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[4](C[6a]C[6a]N[6a])(As[4]N[4]Cl)2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){2|As<3>,1|C<3>,2|H<1>}	111.9370	0.123	2	111.9370	0.015	2	111.9370	0.015	2	115.5290	17.233	4	115.5394	12.926	5	115.5394	12.926	5
643	74	371	0:SP2_SP2_SP2	C[6a]	N[4]	N[6a]	3:3:2:	3:3:3:	3:3:	N[4]-3:C[6a]-3:N[6a]-2:	C[4,6]-3:C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	118.9270	0.000	1	118.9270	0.000	1	119.1210	0.075	2	115.5290	17.233	4	115.5394	12.926	5	115.5394	12.926	5
643	74	371	0:SP2_SP2_SP2	C[6a]	N[4]	N[6a]	3:3:2:	3:3:3:	3:3:	N[4]-3:C[6a]-3:N[6a]-2:	C[4,6]-3:C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:	C[6a](N[4]C[4,6]Ge[4])(C[6a]C[6a]H)(N[6a]C[6a])	N[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N)	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)	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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C){1|Ge<3>,2|C<3>,2|H<1>}	119.3150	0.000	1	119.3150	0.000	1	119.1210	0.075	2	115.5290	17.233	4	115.5394	12.926	5	115.5394	12.926	5
643	74	371	0:SP2_SP2_SP2	C[6a]	N[4]	N[6a]	3:3:2:	3:4:4:	3:3:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:Si[4]-4:Si[4]-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[4]Si[4]2)(N[6a]C[6a])	N[4](C[6a]C[6a]N[6a])(Si[4]N[4]CC)2	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]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[4](C[6a]C[6a]N[6a])(Si[4]N[4]CC)2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.5394	12.926	5	115.5394	12.926	5
643	74	643	0:SP2_SP2_SP2	C[6,6a]	N[4,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-3:Ge[4,4]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2)	C[6a](C[6,6a]C[6,6a]N[4,6])(C[6a]C[6a]H)(H)	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2){1|Ge<3>,2|H<1>,2|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[4,6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,3|C<3>}	120.5700	0.332	2	120.5700	0.110	2	120.5700	0.110	2	120.5700	0.110	2	120.5700	0.110	2	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[4,6]-3:C[6a]-3:C[6a]-3:	P[4,6,6]-3:P[4,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2)	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<3>}	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<3>}	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	119.4090	1.820	2	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:	P[4,6,6]-3:P[4,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2)	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<3>}	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|P<3>,3|C<3>,4|H<1>}	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	119.4090	1.820	2	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-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]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	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>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]O){1|N<2>,2|C<3>,3|H<1>}	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>}	120.3645	0.822	2	120.3645	0.676	2	120.2376	0.222	8	120.2376	0.222	8	120.2819	0.212	9	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-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]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(N[6a]C[6a])	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>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]O){1|N<2>,3|H<1>,4|C<3>}	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>}	120.1953	0.408	6	120.1953	0.167	6	120.2376	0.222	8	120.2376	0.222	8	120.2819	0.212	9	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-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]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[4]C[4]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4,6]C[6a]H)(C[4]C[4,6]O){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[4])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.2819	0.212	9	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:As[4]-3:As[4]-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[4](C[6a]C[6a]N[6a])(As[4]N[4]Cl)2	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[4](C[6a]C[6a]N[6a])(As[4]N[4]Cl)2{1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){2|As<3>,1|C<3>,1|H<1>}	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	120.0857	9.102	3	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[4]-3:C[6a]-3:N[6a]-2:	C[4,6]-3:C[6a]-3:Ge[4]-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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl)	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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]Cl){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	118.4970	0.000	1	118.4970	0.000	1	118.3460	0.046	2	120.0857	9.102	3	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[4]-3:C[6a]-3:N[6a]-2:	C[4,6]-3:C[6a]-3:Ge[4]-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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N)	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[4](C[4,6]N[4,6]C[6])(C[6a]C[6a]N[6a])(Ge[4]N[4,6]N){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	118.1950	0.000	1	118.1950	0.000	1	118.3460	0.046	2	120.0857	9.102	3	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:2:	3:4:4:	3:3:1:	C[6a]-3:N[4]-3:N[6a]-2:	C[6a]-3:Si[4]-4:Si[4]-4:	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[4](C[6a]C[6a]N[6a])(Si[4]N[4]CC)2	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[4](C[6a]C[6a]N[6a])(Si[4]N[4]CC)2{1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[4])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>}	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:Si[4]-2:Si[4]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2)	N[4](C[6a]C[6a]2)(Si[4]N[4])2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2){1|C<3>,1|N<3>,2|C<4>}	N[4](C[6a]C[6a]2)(Si[4]N[4])2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)(H){2|Si<2>,1|C<3>,2|H<1>}	120.4940	0.465	2	120.4940	0.216	2	120.4940	0.216	2	120.4940	0.216	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:Ge[4]-2:Ge[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]Ge[4]2)	N[4](C[6a]C[6a]2)(Ge[4]N[4])2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]Ge[4]2){1|N<3>,2|H<1>,5|C<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4])2{5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){2|Ge<2>,1|H<1>,2|C<4>,4|C<3>}	120.6545	0.382	4	120.6545	0.146	4	120.6545	0.146	4	120.6545	0.146	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	As[4]-3:C[6a]-3:As[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]As[4]2)	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(As[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]As[4]2){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(As[4]N[4]){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<2>,1|As<3>,1|H<1>,2|C<4>,4|C<3>}	119.8724	0.671	8	119.8724	0.450	8	119.8724	0.450	8	119.8112	0.485	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:As[4]-3:As[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]As[4]2)	N[4](C[6a]C[6a]2)(As[4]N[4]N)(As[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]As[4]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[4](C[6a]C[6a]2)(As[4]N[4]N)(As[4]N[4]){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<2>,1|As<3>,1|H<1>,2|C<4>,4|C<3>}	119.5665	1.032	2	119.5665	1.064	2	119.5665	1.064	2	119.8112	0.485	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:Ga[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ga[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ga[4]N[4]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	119.5222	1.713	4	119.5222	2.933	4	119.5222	2.933	4	119.4627	2.659	12	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:Ge[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ge[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ge[4]N[4]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	119.1945	1.899	6	119.1945	3.605	6	119.1945	3.605	6	119.4627	2.659	12	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-3:C[6a]-3:Ge[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]N[4])(C[6a]C[6a]2)(Ge[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[4](P[4]C[6a]N[4])(C[6a]C[6a]2)(Ge[4]N[4]){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	120.1480	1.020	2	120.1480	1.040	2	120.1480	1.040	2	119.4627	2.659	12	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[5a]C[4])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[4]C[5a]C[4])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8130	0.528	2	119.8130	0.278	2	119.8130	0.278	2	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8175	1.036	2	120.2534	1.967	8	119.8929	1.088	18	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5135	0.605	2	120.2534	1.967	8	119.8929	1.088	18	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]C)(C[4]C[4]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.8413	1.777	4	120.2534	1.967	8	119.8929	1.088	18	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]O)(C[4]C[4]S)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]O)(C[4]C[4]S){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5395	0.618	8	119.5395	0.382	8	119.8929	1.088	18	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]N[4]O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[4](C[6a]C[6a]2)(C[4]N[4]O)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8645	0.139	2	119.8645	0.019	2	119.8929	1.088	18	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]N)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]P[4]2){1|C<3>,2|H<1>,3|N<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|P<3>}	121.2375	0.759	2	120.7265	0.485	6	120.7265	0.485	6	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]N)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]P[4]2){1|C<3>,2|H<1>,3|N<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<3>}	120.4710	0.596	4	120.7265	0.485	6	120.7265	0.485	6	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:Si[4]-3:Si[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2)	N[4](C[6a]C[6a]2)(Si[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|C<4>}	N[4](C[6a]C[6a]2)(Si[4]N[4]Cl)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]C)(H){2|Si<3>,1|C<3>,2|H<1>}	120.3400	1.065	2	120.3400	1.134	2	120.3400	1.134	2	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|P<3>,2|C<3>}	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]Ga[4]N[4])(C[6a]C[6a]H)2	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]Ga[4]N[4])(C[6a]C[6a]H)2{1|Ga<3>,2|H<1>,3|C<3>}	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Ga<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1845	3.648	2	121.1845	13.308	2	121.1845	13.308	2	120.1914	1.389	31	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	As[4]-3:As[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]As[4]2)	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]As[4]2){2|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){2|As<3>,1|H<1>,2|C<4>,4|C<3>}	120.5290	0.874	2	120.5290	0.764	2	120.5290	0.764	2	120.1589	1.033	17	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]P[4]2){2|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2{5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.9650	0.921	2	119.9650	0.848	2	120.1724	1.124	14	120.1589	1.033	17	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]H)(P[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]P[4]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]H)(P[4]N[4]N){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.2194	1.243	8	120.2194	1.546	8	120.1724	1.124	14	120.1589	1.033	17	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]I)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]P[4]2){1|N<3>,2|H<1>,2|I<1>,5|C<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]I)2{5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.1822	0.973	4	120.1822	0.947	4	120.1724	1.124	14	120.1589	1.033	17	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2){1|Ge<3>,2|C<3>,2|H<1>}	119.2290	0.000	1	119.2290	0.000	1	119.2290	0.000	1	120.1589	1.033	17	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	As[4]-3:As[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]As[4]2)	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]As[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	119.1660	1.482	4	119.1660	2.197	4	119.1660	2.197	4	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:As[4]-3:As[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]As[4]2)	N[4](C[6a]C[6a]2)(As[4]N[4]O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)2(N[4]As[4]2){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	N[4](C[6a]C[6a]2)(As[4]N[4]O)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3){2|As<3>,1|C<3>,2|C<4>}	119.7400	2.806	4	119.7400	7.872	4	119.7400	7.872	4	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.0473	0.507	3	119.0473	0.257	3	119.1912	0.755	13	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|P<3>}	119.4523	0.326	4	119.4523	0.106	4	119.1912	0.755	13	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	N[4](C[6a]C[6a]2)(P[4]N[4]O)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	118.8183	0.461	4	118.8183	0.212	4	119.1912	0.755	13	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]P)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){1|C<3>,1|N<3>,2|H<1>,2|P<4>}	N[4](C[6a]C[6a]2)(P[4]N[4]P)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.6310	2.512	2	119.6310	6.308	2	119.1912	0.755	13	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	P[4]-3:P[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](P[4]N[4]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){1|C<3>,2|H<1>,3|N<3>}	N[4](P[4]N[4]N[6])2(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.2390	2.152	2	119.2390	4.633	2	119.2390	4.633	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	As[4]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]As[4]C[4])(C[6a]C[6a]C)2	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]As[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|As<3>,2|C<3>,2|C<4>}	119.1868	0.597	4	119.1868	0.356	4	119.1868	0.356	4	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	118.9200	0.857	2	118.9200	0.734	2	118.9200	0.734	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4,6,6]C[4])(C[6a]C[6a]C)2	N[4](C[4,6,6]Si[4,4,6,6]Si[4,6,6])(C[4]Si[4,4,6,6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]C[4,6,6]C[4])(C[6a]C[6a]C)2{1|Si<4>,1|Si<5>,1|C<3>,1|N<2>,2|H<1>}	N[4](C[4,6,6]Si[4,4,6,6]Si[4,6,6])(C[4]Si[4,4,6,6]N)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|C<5>,4|N<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	120.0695	1.044	2	120.0695	1.091	2	120.0695	1.091	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[4]C[4]N[4])(C[6a]C[6a]2)(P[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[4]N[4])(C[6a]C[6a]2)(P[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	120.1825	1.141	4	120.1825	1.302	4	120.1825	1.302	4	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:C[6a]-3:Si[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(Si[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(Si[4]N[4]N){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	119.4650	1.539	2	119.4650	2.367	2	119.4650	2.367	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:B[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.6363	0.592	8	118.6363	0.351	8	118.7232	0.288	12	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:B[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]Cr)(B[4]C[4]N){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	118.8970	0.423	4	118.8970	0.179	4	118.7232	0.288	12	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]N[4]B)(P[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(C[4]N[4]B)(P[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.6240	0.952	2	118.6240	0.906	2	118.6240	0.906	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.6660	1.738	2	119.6660	3.021	2	119.6660	3.021	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:In[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(In[4]N[4]Pt)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2{1|Pt<5>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(In[4]N[4]Pt)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<3>,1|C<4>,1|H<1>,2|C<3>}	119.6470	1.738	12	119.6470	3.020	12	119.6470	3.020	12	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.6315	0.695	2	118.9155	0.999	6	118.9155	0.999	6	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.0575	1.193	4	118.9155	0.999	6	118.9155	0.999	6	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4,4]-3:B[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4,4]B[4])(C[6a]C[6a]C)2	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4,4]B[4])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|H<1>,2|N<4>}	N[4](Ge[4,4]N[4,4]2)(B[4]N[4,4]N)(C[6a]C[6a]2){1|Ge<3>,1|B<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.1005	0.620	2	120.1005	0.385	2	120.1005	0.385	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]B[4])(C[6a]C[6a]C)2	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]B[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.4830	1.665	2	120.4830	2.771	2	120.4830	2.771	2	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Ga<3>,1|C<3>,2|H<1>,2|N<3>}	N[4](Ge[4]Ga[5]N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.3820	2.294	4	119.3820	5.265	4	119.3820	5.265	4	119.3314	1.725	79	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[4]C[4]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4,6]C[6a]H)(C[4]C[4,6]O){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.3710	0.000	1	118.3710	0.000	1	119.3853	0.481	9	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H)	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>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,1|N<2>,2|C<3>}	119.1835	1.324	2	119.1835	1.754	2	119.3853	0.481	9	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[4]C[4]2)	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]O)	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H)	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>}	N[4](C[6a]C[6a,6a]C[6a])(C[4]C[6a]C[4]H)(C[4]C[4]O){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.6217	0.360	6	119.6217	0.129	6	119.3853	0.481	9	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	115.2080	0.000	1	115.2080	0.000	1	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2880	0.753	7	120.2880	0.567	7	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1575	1.371	2	120.2889	0.569	18	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0690	0.791	2	120.2889	0.569	18	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3483	1.182	4	120.2889	0.569	18	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2980	1.105	2	120.2889	0.569	18	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3448	0.475	8	120.2889	0.569	18	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HO)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HO)(C[4]C[4]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.0120	0.689	2	119.9045	2.220	4	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HO)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HO)(C[4]C[4]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.7970	2.478	2	119.9045	2.220	4	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]SS)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<4>}	N[4](C[6a]C[6a]2)(C[4]C[4]SS)(C[4]C[4]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0810	1.603	4	120.0810	2.570	4	120.0696	1.587	34	119.9264	1.418	43	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HH)(C[4]C[4]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	123.3460	0.000	1	123.3460	0.000	1	123.3460	0.000	1	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	Si[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2)	N[4](Si[4]C[5]N[4])(Si[4]N[4]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[4](Si[4]C[5]N[4])(Si[4]N[4]CC)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.2610	0.590	6	120.2610	0.348	6	120.2610	0.348	6	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Ga[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(C[6a]C[6a]2){2|Ga<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.7918	1.554	4	119.7918	2.415	4	119.7918	2.415	4	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeN)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.3038	2.571	4	119.3038	6.612	4	119.2082	2.906	18	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	118.9280	1.657	6	118.9280	2.746	6	119.2082	2.906	18	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]SeN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|Se<1>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]SeN)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.4055	1.637	4	119.4055	2.679	4	119.2082	2.906	18	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]TeN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|Te<1>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]TeN)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.3355	1.536	4	119.3355	2.358	4	119.2082	2.906	18	119.6492	2.782	29	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HH)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|C<3>,1|C<4>,6|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HH)2{1|H<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|N<3>}	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]HH)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|C<3>,1|C<4>,6|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]HH)2{1|H<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	126.6150	0.000	1	126.6150	0.000	1	126.6150	0.000	1	126.6150	0.000	1	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:5:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	119.0648	0.728	4	119.0968	0.331	6	119.0968	0.331	6	119.0968	0.331	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:5:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(C[6a]C[6a]2){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	119.1610	0.226	2	119.0968	0.331	6	119.0968	0.331	6	119.0968	0.331	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:5:5:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-5:P[4]-5:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]P[4]2){1|C<3>,1|N<3>,2|H<1>,6|N<2>}	N[4](C[6a]C[6a]2)(P[4]N[4]N3)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<5>}	120.3455	0.765	4	120.3455	0.586	4	120.3455	0.586	4	120.3455	0.586	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:6:3:	3:3:1:	C[6a]-3:N[4]-3:C[6a]-3:	C[4]-3:Nb[4]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[4]Nb[4]C[4])(C[6a]C[6a]H)	N[4](C[4]C[6a]O[4])(Nb[4]O[4]N3O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[4])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[4]Nb[4]C[4])(C[6a]C[6a]H){1|H<1>,2|O<2>,3|N<3>,5|C<3>}	N[4](C[4]C[6a]O[4])(Nb[4]O[4]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[4])(H){1|Nb<6>,4|C<3>}	115.4550	0.000	2	115.4550	0.000	2	115.4550	0.000	2	115.4550	0.000	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	3:6:3:	3:3:3:	C[6a]-3:N[4]-3:C[6a]-3:	C[4]-3:Nb[4]-6:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[4]Nb[4]C[4])(C[6a]C[6a]H)	N[4](C[4]C[6a]O[4])(Nb[4]O[4]N3O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[4])	C[6a](C[6a]C[6a,6a]C[6a])(N[4]Nb[4]C[4])(C[6a]C[6a]H){1|H<1>,2|O<2>,3|N<3>,5|C<3>}	N[4](C[4]C[6a]O[4])(Nb[4]O[4]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[4]){1|Nb<6>,1|N<2>,2|H<1>,7|C<3>}	124.0000	0.000	2	124.0000	0.000	2	124.0000	0.000	2	124.0000	0.000	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:2:	3:3:3:	N[4]-3:C[6a]-3:C[6a]-3:	In[4]-4:C[6a]-3:N[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4]In[4]N[4])(C[6a]C[6a]2)2	N[4](In[4]N[4]CC)(C[6a]C[6a]2)(N[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4]In[4]N[4])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[4](In[4]N[4]CC)(C[6a]C[6a]2)(N[4]N[4]){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|In<4>,1|H<1>,1|N<2>,2|C<4>,4|C<3>}	120.0219	5.558	8	120.0219	30.894	8	120.0219	30.894	8	120.0219	30.894	8	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:Ge[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]Si[4])(C[6a]C[6a]C)2	N[4](Si[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]Si[4])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[4](Si[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.2740	0.461	4	120.2740	0.213	4	120.1320	0.176	6	120.1320	0.176	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:Ge[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]Si[4])(C[6a]C[6a]C)2	N[4](Si[4]N[4]CC)(C[6a]C[6a]2)(Ge[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]Si[4])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[4](Si[4]N[4]CC)(C[6a]C[6a]2)(Ge[4]N[4]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	119.8480	0.021	2	119.8480	0.000	2	120.1320	0.176	6	120.1320	0.176	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[3,4]CH)(C[4]C[3,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[3,4]CH)(C[4]C[3,4]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3270	0.000	1	119.3270	0.000	1	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.1490	1.059	3	122.1490	1.122	3	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.7520	0.000	1	120.3037	0.388	3	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	120.5795	0.565	2	120.3037	0.388	3	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[3,4]C[5]H)(C[4]C[3,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[3,4]C[5]H)(C[4]C[3,4]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5755	1.524	2	120.5755	2.322	2	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[3,4]C[6a]H)(C[4]C[3,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[3,4]C[6a]H)(C[4]C[3,4]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0210	0.260	2	120.0210	0.068	2	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,5]HH)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[4](C[4]C[4,5]HH)(C[4]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4180	0.868	2	120.1138	0.417	6	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,5]HH)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[4](C[4]C[4,5]HH)(C[4]C[4,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9617	0.592	4	120.1138	0.417	6	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3645	1.158	2	120.0340	0.829	4	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7035	0.844	2	120.0340	0.829	4	120.4141	1.086	21	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.3450	0.000	1	119.3450	0.000	1	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){1|H<1>,2|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.9580	0.000	1	118.2310	0.149	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	118.5040	0.000	1	118.2310	0.149	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4724	0.875	12	120.3296	0.634	30	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2777	0.525	6	120.3296	0.634	30	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2222	0.896	6	120.3296	0.634	30	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1080	0.458	2	120.3296	0.634	30	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2510	1.139	4	120.3296	0.634	30	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0115	0.144	2	120.0115	0.021	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7078	0.927	4	119.7078	0.860	4	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	N[4](C[4]C[6a]2C[4])(C[6a]C[6a]2)(C[4]C[4]O){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0945	0.489	4	119.0945	0.239	4	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9825	0.614	2	119.9825	0.378	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[4])(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[4])(H){1|Rh<8>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.6080	0.000	1	119.6080	0.000	1	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5460	1.308	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1800	1.086	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8227	0.493	4	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	119.9032	0.432	14	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.2780	0.332	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2269	0.794	8	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.5505	0.820	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1862	0.447	12	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2695	1.200	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9915	0.151	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6430	0.618	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.9265	0.046	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0033	1.056	6	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.6065	0.906	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9700	0.795	4	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	121.9210	0.000	1	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|Ir<8>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4680	0.000	1	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|O<1>,3|C<3>,3|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9505	0.722	2	120.0451	0.468	70	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Ir)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|Ir<8>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	119.8290	0.000	1	119.8290	0.000	1	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0351	0.752	10	119.0351	0.566	10	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8187	0.368	4	119.8783	0.110	6	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9975	0.316	2	119.8783	0.110	6	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]S)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[4](C[4]C[6a]C[4]S)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9725	0.514	2	119.9725	0.264	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]N[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[4](C[4]N[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9620	0.676	2	119.9620	0.457	2	119.9487	0.616	137	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]F)2	N[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]F)(F)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]C){2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	121.7105	2.293	2	121.7105	5.259	2	121.7105	5.259	2	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	116.7730	0.000	1	116.7730	0.000	1	116.7730	0.000	1	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2278	0.705	4	120.2278	0.498	4	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0070	0.634	8	120.0484	0.393	12	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0950	0.891	2	120.0484	0.393	12	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.1675	0.818	2	120.0484	0.393	12	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]O)(C[6a]C[6a]2){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8335	0.022	2	119.9627	0.031	4	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[4](C[4,5]C[4,5]C[6a]O[5])(C[4]C[4,5]O)(C[6a]C[6a]2){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0920	0.158	2	119.9627	0.031	4	120.0671	0.319	20	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	120.1350	0.000	1	120.1350	0.000	1	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4]C[5]2)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[4]C[5]2)(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8105	0.066	4	119.8105	0.004	4	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[4]C[5]S[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[4](C[4,5]C[4]C[5]S[5])(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.9715	1.200	2	119.9715	1.440	2	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]F)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,2|H<1>}	119.1450	0.765	2	119.1450	0.585	2	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0555	0.110	2	120.0951	0.434	14	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.8705	0.176	2	120.0951	0.434	14	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.0615	0.803	2	120.0951	0.434	14	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.0633	0.463	6	120.0951	0.434	14	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4885	0.479	2	120.0951	0.434	14	119.9540	0.427	23	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2	N[4](C[4,6]C[4,5,6]C[6]H)(C[4]C[4,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4,6]C[4,5,6]C[6]H)(C[4]C[4,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1298	0.166	4	120.1298	0.028	4	120.1520	0.445	8	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2	N[4](C[4,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0900	0.950	2	120.0900	0.903	2	120.1520	0.445	8	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,6]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2585	1.449	2	120.2585	2.099	2	120.1520	0.445	8	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2	N[4](C[4,6]C[4]C[6]2)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,6]C[4])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[4](C[4,6]C[4]C[6]2)(C[6a]C[6a]2)(C[4]C[4]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7429	1.039	8	120.7429	1.080	8	120.7429	1.080	8	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|P<4>,2|C<3>}	120.8675	0.317	2	120.8675	0.101	2	120.8675	0.101	2	120.0498	0.737	222	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[3,4]CH)(C[4]C[3,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[3,4]CH)(C[4]C[3,4]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	121.5210	0.000	1	121.5210	0.000	1	120.0577	3.895	7	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,5]C[6a]H)(C[4]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	118.2727	1.534	3	118.2727	2.352	3	120.0577	3.895	7	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.6850	1.124	2	121.3550	0.959	3	120.0577	3.895	7	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[4]C[4]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	120.6950	0.000	1	121.3550	0.959	3	120.0577	3.895	7	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){1|H<1>,2|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	122.5100	0.000	1	121.8655	0.831	2	121.8655	0.831	2	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	121.2210	0.000	1	121.8655	0.831	2	121.8655	0.831	2	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC)	C[6a](N[4]C[4,5]C[4])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[4](C[4,5]C[5,6a]C[4]C[5])(C[6a]C[6a]2)(C[4]C[4]O){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	120.4858	3.261	10	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[4](C[4]C[6a]C[4]C)(C[6a]C[6a]2)(C[4]C[4]O){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4,5]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4,5]C[4])(C[6a]C[6a]C)2	N[4](B[4,5]C[5]N[5]O[4])(C[6a]C[6a]2)(C[4]O[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]B[4,5]C[4])(C[6a]C[6a]C)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[4](B[4,5]C[5]N[5]O[4])(C[6a]C[6a]2)(C[4]O[4]O){3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	119.9370	0.523	2	119.9370	0.274	2	119.9370	0.274	2	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](B[4]C[4]Cl2)(C[6a]C[6a]2)(C[4]C[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[4](B[4]C[4]Cl2)(C[6a]C[6a]2)(C[4]C[4]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.8655	1.032	2	118.8655	1.064	2	119.1221	4.182	12	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[4](B[4]C[6a]2N[4])(C[6a]C[6a]2)(C[4]N[4]C){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	119.1240	1.301	2	119.1240	1.693	2	119.1221	4.182	12	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](B[4]N[4]Br2)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{2|Br<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](B[4]N[4]Br2)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	119.2142	2.592	4	119.2142	6.719	4	119.1221	4.182	12	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](B[4]N[4]Cl2)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](B[4]N[4]Cl2)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	119.1573	2.764	4	119.1573	7.638	4	119.1221	4.182	12	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O)	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	122.6460	0.000	1	122.6460	0.000	1	122.6460	0.000	1	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ga[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|Ga<4>,1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	N[4](Ga[4]Ga[4]N[4]I)(C[6a]C[6a]2)(C[4]N[4]C){1|I<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.1707	0.373	4	119.1707	0.139	4	119.3242	3.494	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ga[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|I<1>,2|N<3>}	N[4](Ga[4]N[4]II)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.6310	4.096	2	119.6310	16.774	2	119.3242	3.494	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	119.7205	0.971	4	119.7205	0.942	4	119.5590	3.209	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](Ge[4]N[4]SeN)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,2|H<1>,3|N<3>}	N[4](Ge[4]N[4]SeN)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	119.2360	3.592	2	119.2360	12.903	2	119.5590	3.209	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](Ge[4]N[4]ClNi)(C[6a]C[6a]2)(C[4]N[4]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2Ni){1|Ge<4>,2|C<3>,2|H<1>}	118.8440	1.454	2	118.8440	2.114	2	118.8440	2.114	2	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	In[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2	N[4](In[4]In[4]N[4]Cl)(C[4]N[4]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|In<4>,1|C<3>,2|H<1>,2|N<3>}	N[4](In[4]In[4]N[4]Cl)(C[4]N[4]N[6])(C[6a]C[6a]2){1|Cl<1>,2|N<3>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.6240	1.998	4	119.6240	3.992	4	119.6240	3.992	4	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	In[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2	N[4](In[4]In[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|In<4>,1|C<3>,2|H<1>,2|N<3>}	N[4](In[4]In[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N){1|Cl<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	120.3169	2.016	9	120.3169	4.064	9	120.3169	4.064	9	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[3x4]-4:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]P[3x4]P[4])(C[6a]C[6a]C)2	N[4](P[3x4]P[3,4,4]2N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]P[3x4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|P<3>}	N[4](P[3x4]P[3,4,4]2N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	118.7583	0.103	4	118.7583	0.011	4	118.7583	0.011	4	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]Cl){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.6783	0.890	4	119.6783	0.792	4	119.5233	0.728	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(C[6a]C[6a]2)(Ge[4]N[4]O){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.2135	0.986	2	119.2135	0.973	2	119.5233	0.728	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]C[4]Si2)(C[6a]C[6a]2)(C[4]C[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	N[4](Si[4]C[4]Si2)(C[6a]C[6a]2)(C[4]C[4]N){1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.3585	0.306	2	119.6602	0.541	4	119.8020	0.437	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]C[4]Si2)(C[6a]C[6a]2)(C[4]C[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[4](Si[4]C[4]Si2)(C[6a]C[6a]2)(C[4]C[4]N){1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.9620	1.079	2	119.6602	0.541	4	119.8020	0.437	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]O[4]NiO)(C[6a]C[6a]2)(C[4]O[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|N<2>,2|H<1>,2|O<2>}	N[4](Si[4]O[4]NiO)(C[6a]C[6a]2)(C[4]O[4]N){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	120.0855	0.565	2	120.0855	0.319	2	119.8020	0.437	6	119.5742	2.698	58	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.4265	0.763	2	120.4265	0.582	2	120.6775	0.549	4	120.6775	0.549	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,2|C<3>,5|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9285	0.902	2	120.9285	0.813	2	120.6775	0.549	4	120.6775	0.549	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2	N[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)(P[4]C[4]CC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|C<4>}	N[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)(P[4]C[4]CC){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|P<4>,2|C<4>}	121.2465	1.197	2	121.2465	1.433	2	121.2465	1.433	2	121.2465	1.433	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	Ge[4]-4:Ge[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]Ge[4]2)	N[4](Ge[4]N[4]AsCl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]Ge[4]2){2|As<3>,2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](Ge[4]N[4]AsCl)2(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){2|Ge<4>,1|C<3>,2|H<1>}	120.9765	1.546	2	120.9765	2.391	2	120.9765	2.391	2	120.9527	1.207	8	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	P[4]-4:P[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]P[4]2)	N[4](P[4]C[6a]S[4]S)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]P[4]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	N[4](P[4]C[6a]S[4]S)2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|P<4>}	119.8010	0.069	2	119.8010	0.005	2	120.9922	1.894	4	120.9527	1.207	8	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	P[4]-4:P[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]P[4]2)	N[4](P[4]N[4]MgN)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]P[4]2){1|Mg<7>,1|C<3>,1|N<4>,2|H<1>,2|N<3>}	N[4](P[4]N[4]MgN)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|P<4>}	122.1835	0.013	2	122.1835	0.000	2	120.9922	1.894	4	120.9527	1.207	8	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	Si[4]-4:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2)	N[4](Si[4]C[6a]N[4]C)(Si[4]N[4]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]Si[4]2){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[4](Si[4]C[6a]N[4]C)(Si[4]N[4]FF)(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,2|H<1>}	120.8500	0.590	2	120.8500	0.348	2	120.8500	0.348	2	120.9527	1.207	8	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	P[3x4]-4:P[3x4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[3x4]2)	N[4](P[3x4]P[3,4,4]2N[4])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]P[3x4]2){1|C<3>,1|N<3>,2|H<1>,4|P<3>}	N[4](P[3x4]P[3,4,4]2N[4])2(C[6a]C[6a]2){2|C<4>,3|C<3>,4|P<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	118.5480	0.141	2	118.5480	0.020	2	118.5480	0.020	2	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	Si[4]-4:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2)	N[4](Si[4]N[4]CC)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[4](Si[4]N[4]CC)2(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.4355	0.368	2	120.4355	0.136	2	119.7848	0.615	4	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	Si[4]-4:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2)	N[4](Si[4]N[4]Cl2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2){4|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](Si[4]N[4]Cl2)2(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	119.1340	0.120	2	119.1340	0.014	2	119.7848	0.615	4	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:B[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(B[4]N[4]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(B[4]N[4]Cl2)(C[6a]C[6a]2){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.9530	0.752	2	119.9530	0.566	2	119.9530	0.566	2	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:Ga[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]P[4])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(C[6a]C[6a]2){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.6610	0.095	2	119.6610	0.009	2	119.6610	0.009	2	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:Ge[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClFe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClFe)(C[6a]C[6a]2){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	120.3600	0.474	2	120.3600	0.224	2	119.8762	0.704	6	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:Ge[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClS)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClS)(C[6a]C[6a]2){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.4550	1.430	2	119.4550	2.044	2	119.8762	0.704	6	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4]-4:Ge[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]SeO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]P[4])(C[6a]C[6a]C)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]SeO)(C[6a]C[6a]2){3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.8135	0.647	2	119.8135	0.419	2	119.8762	0.704	6	119.6700	0.596	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	4:5:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[3,3,4,6]-4:Nb[4,4]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[3,3,4,6]Nb[4,4])(C[6a]C[6a]H)2	N[4](C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]2)(Nb[4,4]Nb[12x3,4,4]N[4]NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[3,3,4,6]Nb[4,4])(C[6a]C[6a]H)2{1|Nb<13>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	N[4](C[3,3,4,6]Nb[12x3,4,4]C[3,3,6]2)(Nb[4,4]Nb[12x3,4,4]N[4]NN)(C[6a]C[6a]2){3|C<3>,4|H<1>,9|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<3>,1|C<4>,2|H<1>}	121.1385	1.560	4	121.1385	2.432	4	121.1385	2.432	4	121.1385	2.432	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ga[4,4]-5:C[6a]-3:N[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4,4]N[4])(C[6a]C[6a]C)2	N[4](Ga[4,4]N[4]3Cl)(C[6a]C[6a]2)(N[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4,4]N[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,3|N<3>}	N[4](Ga[4,4]N[4]3Cl)(C[6a]C[6a]2)(N[4]N[4]){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.8325	1.013	8	118.8325	1.026	8	118.8325	1.026	8	118.8751	1.780	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	In[4,4]-5:C[6a]-3:N[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]In[4,4]N[4])(C[6a]C[6a]C)2	N[4](In[4,4]N[4]3Cl)(C[6a]C[6a]2)(N[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]In[4,4]N[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,3|N<3>}	N[4](In[4,4]N[4]3Cl)(C[6a]C[6a]2)(N[4]N[4]){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.9176	1.668	8	118.9176	2.784	8	118.9176	2.784	8	118.8751	1.780	16	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-5:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(C[6a]C[6a]2){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	119.1550	0.215	4	119.1550	0.046	4	119.1550	0.046	4	119.1705	0.080	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-5:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,2|N<3>,3|H<1>}	N[4](Si[4]N[4]Cl2H)(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	119.2015	0.510	2	119.2015	0.260	2	119.2015	0.260	2	119.1705	0.080	6	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:3:4:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	S[4,5]-5:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]S[4,5]C[4])(C[6a]C[6a]H)2	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]S[4,5]C[4])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[4](S[4,5]C[5,6a]C[4]O[5]O)(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<5>,2|H<1>}	120.1760	2.141	2	120.1760	4.584	2	120.1760	4.584	2	120.1760	4.584	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-5:B[4,5a]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]P[4,5,5]B[4,5a])(C[6a]C[6a]C)2	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]P[4,5,5]B[4,5a])(C[6a]C[6a]C)2{1|C<3>,1|N<4>,2|H<1>,5|O<2>}	N[4](P[4,5,5]N[4,5,5]O[5]2O)(B[4,5a]N[4,5,5]O[5a]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<5>}	119.0525	0.759	2	119.0525	0.576	2	119.0525	0.576	2	119.0525	0.576	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:5:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]P[4,5,5]2)(C[6a]C[6a]H)2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]P[4,5,5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<3>,4|O<2>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<5>}	120.6235	0.343	4	120.6235	0.117	4	120.6235	0.117	4	120.6235	0.117	4	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	5:5:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-5:P[4,5,5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]P[4,5,5]2)(C[6a]C[6a]C)2	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]P[4,5,5]2)(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>,4|O<2>}	N[4](P[4,5,5]N[5,5]N[4]O[5]2)2(C[6a]C[6a]2){11|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<5>}	119.8325	0.012	2	119.8325	0.000	2	119.8325	0.000	2	119.8325	0.000	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP2	C[6a]	N[4]	C[6a]	3:3:3:	7:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Nb[4x3,4]-7:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Nb[4x3,4]C[4])(C[6a]C[6a]C)2	N[4](Nb[4x3,4]C[3,3]3C[3,4]N[3]N)(C[4]C[3,4]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Nb[4x3,4]C[4])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[4](Nb[4x3,4]C[3,3]3C[3,4]N[3]N)(C[4]C[3,4]C[6a])(C[6a]C[6a]2){1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	119.9380	1.411	2	119.9380	1.992	2	119.9380	1.992	2	119.9380	1.992	2	119.8755	2.013	620	119.8820	1.982	633
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4,5]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-3:P[4,5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4,5]P[4,5,5]2)(C[6a]C[6a]2)2	N[4,5](P[4,5,5]C[4,5]C[5,5])(P[4,5,5]C[4,5]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]N[4,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4,5]P[4,5,5]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	N[4,5](P[4,5,5]C[4,5]C[5,5])(P[4,5,5]C[4,5]N[5,5])(C[6a]C[6a]2){2|N<2>,5|C<3>}	C[6a](C[6a]N[4,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.8360	2.773	2	120.8360	7.691	2	120.4498	4.600	6	120.4498	4.600	6	120.4498	4.600	6	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4,5]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-3:P[4,5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4,5]P[4,5,5]2)(C[6a]C[6a]2)2	N[4,5](P[4,5,5]C[5,5]N[4,5])2(C[6a]C[6a]2)	C[6a](C[6a]N[4,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4,5]P[4,5,5]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	N[4,5](P[4,5,5]C[5,5]N[4,5])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]N[4,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.2567	2.226	4	120.2567	4.954	4	120.4498	4.600	6	120.4498	4.600	6	120.4498	4.600	6	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[4,6]-3:C[6a]-3:C[6a]-3:	P[4,6,6]-3:P[4,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2)	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<3>}	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<3>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	120.0265	0.154	2	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4,6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:	P[4,6,6]-3:P[4,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2)	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[4,6]P[4,6,6]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<3>}	N[4,6](P[4,6,6]N[4,6]N[6,6])2(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]N[4,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|P<3>,3|C<3>,4|H<1>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.0265	0.154	2	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	As[4]-3:C[6a]-3:As[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]As[4]2)	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(As[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]As[4]2){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[4](As[4]N[4]Cl)(C[6a]C[6a]2)(As[4]N[4]){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<2>,1|As<3>,1|H<1>,2|C<4>,4|C<3>}	119.9363	0.290	4	119.9363	0.084	4	119.9363	0.084	4	119.9455	0.058	6	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:As[4]-3:As[4]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[4]As[4]2)	N[4](C[6a]C[6a]2)(As[4]N[4]N)(As[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[4]As[4]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[4](C[6a]C[6a]2)(As[4]N[4]N)(As[4]N[4]){5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<2>,1|As<3>,1|H<1>,2|C<4>,4|C<3>}	119.9640	0.191	2	119.9640	0.036	2	119.9640	0.036	2	119.9455	0.058	6	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:Ge[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ge[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(C[4]N[4]N)(Ge[4]N[4]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	120.2165	1.675	2	120.2165	2.806	2	120.2165	2.806	2	119.5700	1.710	6	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[4]-3:C[4]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(P[4]N[4]N)(C[4]N[4])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(P[4]N[4]N)(C[4]N[4]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	119.2467	1.223	4	119.2467	1.497	4	119.2467	1.497	4	119.5700	1.710	6	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]N[4]O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N[4](C[6a]C[6a]2)(C[4]N[4]O)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9205	0.221	2	119.9205	0.049	2	119.9205	0.049	2	119.9205	0.049	2	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	As[4]-3:As[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]As[4]2)	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]As[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](As[4]N[4]Cl)2(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	119.3560	0.969	8	119.3560	0.940	8	119.3560	0.940	8	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Br)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){2|Br<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Br)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.1538	0.478	8	119.1538	0.228	8	119.0520	0.276	16	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	118.8717	0.560	4	118.8717	0.313	4	119.0520	0.276	16	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:P[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){2|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.0288	0.679	4	119.0288	0.461	4	119.0520	0.276	16	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	P[4]-3:P[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]P[4]2)	N[4](P[4]N[4]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[4]P[4]2){1|C<3>,2|H<1>,3|N<3>}	N[4](P[4]N[4]N[6])2(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	119.3515	1.706	2	119.3515	2.911	2	119.3515	2.911	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]B[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[4](B[4]C[6a]N[4])(C[6a]C[6a]2)(P[4]N[4]Cl){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	119.2265	1.414	2	119.2265	1.998	2	119.2265	1.998	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[4]C[4]N[4])(C[6a]C[6a]2)(P[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[4]N[4])(C[6a]C[6a]2)(P[4]N[4]N){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	119.9183	3.483	4	119.9183	12.130	4	119.9183	12.130	4	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:C[6a]-3:Si[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(Si[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(C[6a]C[6a]2)(Si[4]N[4]N){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	119.4245	1.886	2	119.4245	3.556	2	119.4245	3.556	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-3:P[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(C[4]N[4]B)(P[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(C[4]N[4]B)(P[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.5190	1.495	2	118.5190	2.234	2	118.5190	2.234	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(Ga[4]N[4]Ni)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|Ni<6>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(Ga[4]N[4]Ni)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.4051	2.696	8	119.4051	7.267	8	119.2788	5.698	40	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(Ga[4]N[4]Pt)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ga[4]C[4])(C[6a]C[6a]C)2{1|Pt<4>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(Ga[4]N[4]Pt)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.2472	2.350	32	119.2472	5.522	32	119.2788	5.698	40	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]C){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	119.3180	0.038	2	119.3180	0.001	2	119.1898	4.639	4	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](C[6a]C[6a]2)(Ge[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.0615	3.722	2	119.0615	13.850	2	119.1898	4.639	4	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[4]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]C[4]P[4])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[4](C[6a]C[6a]2)(P[4]N[4]Cl)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.8510	1.136	2	118.8510	1.290	2	118.8510	1.290	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-3:C[6a]-3:B[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]B[4])(C[6a]C[6a]C)2	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]B[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,3|N<3>}	N[4](Ge[4]N[4]N[6])(C[6a]C[6a]2)(B[4]N[4]N){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.4000	2.080	2	120.4000	4.328	2	120.4000	4.328	2	119.2715	3.689	84	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[4]-3:	Si[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2)	N[4](Si[4]C[5]N[4])(Si[4]N[4]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[4]Si[4]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[4](Si[4]C[5]N[4])(Si[4]N[4]CC)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.6320	0.402	2	120.6320	0.161	2	120.6320	0.161	2	119.8158	2.113	4	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4]-3:Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	118.9995	1.875	2	118.9995	3.514	2	118.9995	3.514	2	119.8158	2.113	4	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C[4]-4:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[6a]C[6a]2)(C[4]C[4]CH)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[4](C[6a]C[6a]2)(C[4]C[4]CH)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.3690	0.461	2	120.3690	0.213	2	120.3690	0.213	2	120.3690	0.213	2	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	119.7560	0.000	1	119.7560	0.000	1	119.6850	0.010	2	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6140	0.000	1	119.6140	0.000	1	119.6850	0.010	2	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[4](C[4]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3195	2.036	2	120.3195	4.144	2	120.1880	1.405	4	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]N[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[4](C[4]N[5a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.0565	0.012	2	120.0565	0.000	2	120.1880	1.405	4	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	B[4,6,6]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]B[4,6,6]C[4])(C[6a]C[6a]H)2	N[4](B[4,6,6]C[6,6]2N[4])(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]B[4,6,6]C[4])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[4](B[4,6,6]C[6,6]2N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	120.7425	1.385	2	120.7425	1.919	2	120.7425	1.919	2	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]H)2	N[4](B[4]C[6]2N[4])(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[4](B[4]C[6]2N[4])(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	120.7200	3.985	2	120.7200	15.882	2	120.7200	15.882	2	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	116.4530	0.061	2	116.4530	0.004	2	116.4530	0.004	2	119.6628	4.391	12	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	B[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2	N[4](B[4]N[4]Cl2)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]B[4]C[4])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[4](B[4]N[4]Cl2)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	119.3613	1.944	4	119.3613	3.779	4	119.3613	3.779	4	119.9604	2.384	16	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	C[4,4]-4:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3)	C[6a](N[4]C[4,4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[4](C[4,4]C[4,4]C[4]H)(C[4]C[4,4]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	122.1855	0.011	2	122.1855	0.000	2	122.1855	0.000	2	119.9604	2.384	16	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Ge[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2	N[4](Ge[4]N[4]SeN)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,2|H<1>,3|N<3>}	N[4](Ge[4]N[4]SeN)(C[6a]C[6a]2)(C[4]N[4]N){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	119.7120	0.095	2	119.7120	0.009	2	119.7120	0.009	2	119.9604	2.384	16	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	In[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2	N[4](In[4]In[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]In[4]C[4])(C[6a]C[6a]C)2{1|Cl<1>,1|In<4>,1|C<3>,2|H<1>,2|N<3>}	N[4](In[4]In[4]N[4]Cl)(C[6a]C[6a]2)(C[4]N[4]N){1|Cl<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	120.1153	0.898	6	120.1153	0.807	6	120.1153	0.807	6	119.9604	2.384	16	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[4]-3:C[6a]-3:C[6a]-3:	Si[4]-4:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2	N[4](Si[4]N[4]FeH)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	C[6a](N[4]Si[4]C[4])(C[6a]C[6a]C)2{1|Fe<5>,1|C<3>,2|N<3>,3|H<1>}	N[4](Si[4]N[4]FeH)(C[6a]C[6a]2)(C[4]N[4]N){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	118.7170	2.384	2	118.7170	5.685	2	118.7170	5.685	2	119.9604	2.384	16	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,3|H<1>,4|C<3>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]CC){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.8785	1.343	2	120.8785	1.803	2	120.7865	0.690	4	120.4940	1.049	10	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<4>,2|C<3>,5|H<1>}	N[4](C[4]C[6a]C[4]H)(C[6a]C[6a]2)(C[4]C[4]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6945	0.482	2	120.6945	0.232	2	120.7865	0.690	4	120.4940	1.049	10	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	S[4,5]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]S[4,5]C[4])(C[6a]C[6a]H)2	N[4](S[4,5]C[5,6a]C[4]O[5])(C[6a]C[6a]2)(C[4]C[4]CC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]S[4,5]C[4])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[4](S[4,5]C[5,6a]C[4]O[5])(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	120.3023	1.503	4	120.3023	2.258	4	120.3023	2.258	4	120.4940	1.049	10	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	Se[4,5]-4:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]Se[4,5]C[4])(C[6a]C[6a]H)2	N[4](Se[4,5]C[5,6a]C[4]O[5])(C[6a]C[6a]2)(C[4]C[4]CC)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]Se[4,5]C[4])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[4](Se[4,5]C[5,6a]C[4]O[5])(C[6a]C[6a]2)(C[4]C[4]CC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|C<4>,2|H<1>}	120.2925	0.172	2	120.2925	0.030	2	120.2925	0.030	2	120.4940	1.049	10	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[4]C[4]2)	N[4](C[4]C[4,4]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[4]C[4]2){1|C<3>,1|C<4>,6|H<1>}	N[4](C[4]C[4,4]HH)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	120.4715	0.738	2	120.4715	0.544	2	120.4715	0.544	2	120.4715	0.544	2	119.5816	3.111	146	119.6212	3.131	154
643	74	643	0:SP2_SP2_SP3	C[6a]	N[4]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[4]-3:C[6a]-3:C[6a]-3:	Nb[3,4]-6:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[4]Nb[3,4]C[4])(C[6a]C[6a]H)2	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[6a]C[6a]2)(C[4]N[4]N)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H)	C[6a](N[4]Nb[3,4]C[4])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>,3|C<4>}	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[6a]C[6a]2)(C[4]N[4]N){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(H){1|Br<1>,1|Nb<6>,1|H<1>,2|C<3>}	120.9835	2.951	2	120.9835	8.707	2	120.9835	8.707	2	120.9835	8.707	2	119.5816	3.111	146	119.6212	3.131	154
643	74	643	6:SP2_SP2_SP2	C[6,6a]	N[4,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-3:Ge[4,4]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2)	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[4,6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,4]C[6])(Ge[4,4]C[4,4]2){1|Ge<3>,2|H<1>,2|P<4>,4|C<3>}	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<3>,2|C<3>,3|H<1>}	119.1810	0.552	2	119.1810	0.304	2	119.1810	0.304	2	119.1810	0.304	2	119.1810	0.304	2	119.1810	0.304	2
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,5a]2)(C[6a]C[6a]H)2	As[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	As[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.6462	3.003	10	120.6462	9.021	10	120.6462	9.021	10	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.6550	1.765	3	120.6550	3.115	3	120.5286	7.622	5	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3390	4.913	2	120.3390	24.137	2	120.5286	7.622	5	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]C[5])(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2375	3.332	4	120.2375	11.099	4	120.2375	11.099	4	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]P[5])(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	120.5615	3.291	4	120.5615	10.831	4	120.5615	10.831	4	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:As[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(As[5]C[5]2)	As[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(As[5]C[5]2){2|H<1>,5|C<3>}	As[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7436	2.481	16	120.7436	6.155	16	120.7436	6.155	16	120.6205	7.123	39	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](As[5]C[5,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<3>,3|H<1>,5|C<3>}	119.9083	1.972	3	119.9083	3.887	3	119.9083	3.887	3	119.9083	3.887	3	120.5439	7.371	44	120.5439	7.371	44
643	98	643	0:SP2_SP2_SP2	C[6a]	As[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	As[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]P[5])(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]P[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	As[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	120.0035	6.038	2	120.0035	36.457	2	120.0035	36.457	2	120.0035	36.457	2	120.5439	7.371	44	120.5439	7.371	44
643	106	643	0:SP2_SP2_SP2	C[6,6a]	Si[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Si[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]C[6])(C[6a]C[6a]H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.2885	0.220	2	121.2885	0.048	2	121.2885	0.048	2	121.2885	0.048	2	121.2885	0.048	2	121.1419	2.802	24
643	106	643	0:SP2_SP2_SP2	C[6a]	Si[6]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:Si[6]-3:	C[6a]-3:C[6]-4:Si[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[6]Si[6]C[6])	Si[6](C[6a]C[6a,6a]2)(C[6]C[6]Si2)(Si[6]C[6]Si)	C[6a,6a](C[6a]C[6a,6a]Si[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(Si[6]Si[6]C[6]){3|Si<4>,2|C<4>,2|H<1>,5|C<3>}	Si[6](C[6a]C[6a,6a]2)(C[6]C[6]Si2)(Si[6]C[6]Si){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]Si[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|Si<3>,1|C<4>,2|H<1>,3|C<3>}	120.4745	4.262	2	120.4745	18.162	2	120.4745	18.162	2	120.4745	18.162	2	120.4745	18.162	2	121.1419	2.802	24
643	106	643	0:SP2_SP2_SP2	C[6a]	Si[6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](Si[6]C[6,6a]C[6])(C[6a]C[6a]C)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	C[6a](Si[6]C[6,6a]C[6])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	120.1440	0.357	4	120.1440	0.128	4	120.1440	0.128	4	120.1440	0.128	4	121.1940	2.381	20	121.1419	2.802	24
643	106	643	0:SP2_SP2_SP2	C[6a]	Si[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	Si[6]-3:C[6a]-3:C[6a]-3:	Si[6]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Si[6]Si[6]C[6])(C[6a]C[6a]H)2	Si[6](Si[6]C[6a]C[6])(C[6]C[6]Si2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(H)	C[6a](Si[6]Si[6]C[6])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	Si[6](Si[6]C[6a]C[6])(C[6]C[6]Si2)(C[6a]C[6a]2){2|Si<4>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,2|H<1>}	121.3697	3.237	4	121.3697	10.480	4	121.3697	10.480	4	121.3697	10.480	4	121.1940	2.381	20	121.1419	2.802	24
643	106	643	0:SP2_SP2_SP2	C[6a]	Si[6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:Si[6]-3:	C[6]-4:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Si[6]C[6]2)	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(Si[6]C[6]2){2|Si<3>,1|C<3>,6|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4853	0.846	12	121.4853	0.715	12	121.4853	0.715	12	121.4853	0.715	12	121.1940	2.381	20	121.1419	2.802	24
643	106	643	6:SP2_SP2_SP2	C[6,6a]	Si[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:Si[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-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])(Si[6]C[6a]C[6])(C[6a]C[6a]H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(Si[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.2865	0.013	2	119.2865	0.000	2	119.2865	0.000	2	119.2865	0.000	2	119.2865	0.000	2	119.2865	0.000	2
643	113	643	0:SP2_SP2_SP3	C[6a]	B[4a]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	B[4a]-4:C[6a]-3:C[6a]-3:	C[4a]-3:C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[4a]C[4a]2C[6a])(C[6a]C[6a]H)2	B[4a](C[4a]B[4a]C)2(C[6a]C[6a]2)2	C[6a](C[6a]B[4a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[4a]C[4a]2C[6a])(C[6a]C[6a]H)2{1|B<4>,2|C<2>,2|H<1>,3|C<3>}	B[4a](C[4a]B[4a]C)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[6a](C[6a]B[4a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.7945	2.643	4	121.7945	6.987	4	121.7945	6.987	4	121.7945	6.987	4	121.7945	6.987	4	121.7945	6.987	4
643	126	643	0:SP2_SP2_SP3	C[6a]	S[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(S[4]N[4]2)	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(S[4]N[4]2){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	119.1730	2.837	2	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8
643	126	643	0:SP2_SP2_SP3	C[6a]	S[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(S[4]N[4]2)	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(S[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.9275	4.436	2	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8
643	126	643	0:SP2_SP2_SP3	C[6a]	S[4]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S[4]-3:	C[6a]-3:N[4]-3:N[4]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(S[4]N[4]2)	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(S[4]N[4]2){1|Ge<4>,1|C<3>,2|C<4>,2|H<1>}	S[4](C[6a]C[6a]2)(N[4]Ge[4]C)2{1|Cl<1>,1|Se<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]S[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.9477	3.218	4	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8	118.9990	8.409	8
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	11:11:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[9x3]-11:Nb[9x3]-11:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[9x3]2)(C[6a]C[6a]C)2	N[3](Nb[9x3]C[3,3,5]5Nb[9x3]B[3,3]H[3]2N[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[9x3]2)(C[6a]C[6a]C)2{10|C<4>,1|C<3>,1|N<3>,2|B<5>,2|H<1>,4|H<2>}	N[3](Nb[9x3]C[3,3,5]5Nb[9x3]B[3,3]H[3]2N[3])2(C[6a]C[6a]2){14|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){2|Nb<11>,1|C<3>,1|C<4>,1|H<1>}	120.1923	0.598	4	120.1923	0.358	4	120.1923	0.358	4	120.1923	0.358	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a]-3:C[3]-4:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3]2)	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3]2){1|C<4>,2|C<3>,4|H<1>}	N[3](C[6a]C[6a]2)(C[3]C[3]CH)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.1540	3.053	2	120.1540	9.323	2	120.1540	9.323	2	120.1540	9.323	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]C[3]N[3])(C[6a]C[6a]H)2	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]C[3]N[3])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[3](C[3]C[6a]N[3]C)(N[3]C[6a]C[3])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5277	0.553	4	119.5277	0.306	4	119.5277	0.306	4	119.5277	0.306	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	B[3]-4:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]B[3]C[3])(C[6a]C[6a]C)2	N[3](B[3]C[3]C[5]Br)(C[6a]C[6a]2)(C[3]B[3]B)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]B[3]C[3])(C[6a]C[6a]C)2{1|Br<1>,1|B<3>,2|C<3>,2|H<1>}	N[3](B[3]C[3]C[5]Br)(C[6a]C[6a]2)(C[3]B[3]B){2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.7875	0.317	2	118.7875	0.101	2	118.7875	0.101	2	118.7875	0.101	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2){1|C<3>,2|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2)	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[3]C[3,6]2){1|C<3>,2|C<4>,4|H<1>}	N[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){1|Br<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.7110	0.000	1	118.7110	0.000	1	120.0122	1.402	6	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3]2)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3]2){1|C<4>,2|H<1>,4|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.3220	0.000	1	119.3220	0.000	1	120.0122	1.402	6	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3]2)	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3]2){1|C<4>,2|H<1>,4|C<3>}	N[3](C[3]C[5a]C[6a]C[3])(C[3]C[6a]C[3]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	120.0122	1.402	6	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3]2)	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3]2){1|Si<4>,3|C<3>,3|H<1>}	N[3](C[3]C[6a]C[3]Si)(C[3]C[6a]C[3]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.4580	1.673	2	120.4580	2.799	2	120.0122	1.402	6	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2){2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.8410	0.000	1	119.8410	0.000	1	120.0122	1.402	6	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,5]C[3])(C[6a]C[6a]H)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,5]C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	120.9380	0.469	4	120.9380	0.220	4	120.9380	0.220	4	120.5980	1.306	12	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2){2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ga[3,3]-4:Ga[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ga[3,3]2)(C[6a]C[6a]C)2	N[3](Ga[3,3]Ga[3,3]C[5]N[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ga[3,3]2)(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[3](Ga[3,3]Ga[3,3]C[5]N[3])2(C[6a]C[6a]2){4|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){2|Ga<4>,1|C<3>,1|C<4>,1|H<1>}	120.0610	0.402	2	120.0610	0.161	2	120.0610	0.161	2	120.3790	0.759	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,5]-4:Si[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Si[3,5]2)(C[6a]C[6a]C)2	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Si[3,5]2)(C[6a]C[6a]C)2{1|C<3>,2|H<1>,4|N<3>}	N[3](Si[3,5]Si[3,5]N[5]2)2(C[6a]C[6a]2){10|C<4>,2|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){2|Si<4>,1|C<3>,2|C<4>}	120.6970	1.308	2	120.6970	1.711	2	120.6970	1.711	2	120.3790	0.759	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:7:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	C[3,3]-4:Nb[3,3]-7:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Nb[3,3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Nb[3,3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|N<3>,4|C<3>}	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	117.4610	0.000	2	117.4610	0.000	2	117.4610	0.000	2	117.4610	0.000	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:7:3:	3:3:3:	N[3]-3:C[6a]-3:C[6a]-3:	C[3,3]-4:Nb[3,3]-7:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[3]Nb[3,3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[3]Nb[3,3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|N<3>,4|C<3>}	N[3](C[3,3]Nb[3,3]C[6a]O[3])(Nb[3,3]C[3,3]O[3]N3O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Nb<7>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.1400	0.000	2	122.1400	0.000	2	122.1400	0.000	2	122.1400	0.000	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	4:8:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	C[3,3]-4:Nb[6x3]-8:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[6x3]C[3,3])(C[6a]C[6a]C)2	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[6x3]C[3,3])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>,5|C<4>}	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	118.9540	1.044	2	118.9540	1.089	2	118.9540	1.089	2	118.9540	1.089	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,4]-5:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,4]N[3])(C[6a]C[6a]H)2	N[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,4]N[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	121.1575	2.736	2	121.1575	7.485	2	121.1575	7.485	2	121.1575	7.485	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,4]C[3])(C[6a]C[6a]H)2	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,4]C[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	N[3](Si[3,4]C[3]N[4]2C)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	121.4465	0.416	2	121.4465	0.173	2	121.2498	0.110	4	121.2498	0.110	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,4]-5:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,4]C[3])(C[6a]C[6a]H)2	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,4]C[3])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|N<3>}	N[3](Si[3,4]C[3]N[4]2N)(C[3]Si[3,4]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	121.0530	0.033	2	121.0530	0.001	2	121.2498	0.110	4	121.2498	0.110	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,4]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]C[4]N[3])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2{1|Ge<5>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]C[4]N[3])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|N<3>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.8515	1.160	4	119.9283	1.060	12	119.9454	0.917	16	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,4]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]C[4]N[3])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2{1|Ge<5>,2|C<3>,2|H<1>,2|N<3>}	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]C[4]N[3])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2){1|B<4>,2|C<4>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.9666	1.041	8	119.9283	1.060	12	119.9454	0.917	16	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,4]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]O[4])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,4]B[3,3])(C[6a]C[6a]C)2{1|Ge<5>,1|C<3>,1|O<2>,2|H<1>,2|N<3>}	N[3](Ge[3,3,4]Ge[3,3,4]B[3,3]N[3]O[4])(B[3,3]Ge[3,3,4]N[3]N)(C[6a]C[6a]2){1|B<4>,2|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.9970	0.831	4	119.9970	0.691	4	119.9454	0.917	16	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,5]B[3,3]C[5]2N[3])(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[3](Ge[3,3,5]B[3,3]C[5]2N[3])(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.8469	1.210	8	119.8469	1.464	8	119.9969	1.224	24	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,5]B[3,3]Ge[5]N[3]N[5])(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2{1|Ge<3>,1|C<3>,2|H<1>,3|N<3>}	N[3](Ge[3,3,5]B[3,3]Ge[5]N[3]N[5])(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2){1|B<3>,1|C<2>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	120.1492	1.128	8	120.1492	1.272	8	119.9969	1.224	24	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3,5]B[3,3]N[3]N[5]2)(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3,5]B[3,3])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,4|N<3>}	N[3](Ge[3,3,5]B[3,3]N[3]N[5]2)(B[3,3]Ge[3,3,5]N[3]N)(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.9945	1.110	8	119.9945	1.232	8	119.9969	1.224	24	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]CC)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[3](Ge[3,3]B[3,3]N[3]CC)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.8535	1.409	4	119.8535	1.985	4	119.7248	1.242	18	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]CI)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|N<3>}	N[3](Ge[3,3]B[3,3]N[3]CI)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.7782	1.346	4	119.7782	1.812	4	119.7248	1.242	18	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]II)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|I<1>,2|N<3>}	N[3](Ge[3,3]B[3,3]N[3]II)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.5165	1.181	4	119.5165	1.394	4	119.7248	1.242	18	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]SS)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>,2|S<2>}	N[3](Ge[3,3]B[3,3]N[3]SS)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.7640	0.945	2	119.7640	0.892	2	119.7248	1.242	18	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]Te2)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{2|Te<2>,1|C<3>,2|H<1>,2|N<3>}	N[3](Ge[3,3]B[3,3]N[3]Te2)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.7313	1.211	4	119.7313	1.467	4	119.7248	1.242	18	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3x3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3x3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3x3]Ge[3x3]B[3,3]N[3]2)(B[3,3]Ge[3x3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3x3]B[3,3])(C[6a]C[6a]C)2{1|Ge<5>,1|C<3>,2|H<1>,3|N<3>}	N[3](Ge[3x3]Ge[3x3]B[3,3]N[3]2)(B[3,3]Ge[3x3]N[3]N)(C[6a]C[6a]2){1|B<4>,2|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.8780	1.327	8	119.8780	1.761	8	119.8780	1.761	8	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3,6]-5:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[3,6]C[3])(C[6a]C[6a]C)2	N[3](Nb[3,6]C[3]N[6]2N)(C[3]Nb[3,6]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Nb[3,6]C[3])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|N<3>}	N[3](Nb[3,6]C[3]N[6]2N)(C[3]Nb[3,6]CC)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Nb<5>,1|C<3>,1|H<1>,2|C<4>}	120.1350	3.364	2	120.1350	11.319	2	120.1350	11.319	2	119.9028	1.307	68	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	5:5:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,3]-5:Si[3,3]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Si[3,3]2)(C[6a]C[6a]C)2	N[3](Si[3,3]Si[3,3]N[3]Cl2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Si[3,3]2)(C[6a]C[6a]C)2{4|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	N[3](Si[3,3]Si[3,3]N[3]Cl2)2(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){2|Si<5>,1|C<3>,1|C<4>,1|H<1>}	119.3575	0.148	2	119.3575	0.022	2	119.3575	0.022	2	119.3575	0.022	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	6:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3,5,6,6]-6:C[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Nb[3,5,6,6]C[3,5])(C[6a]C[6a]H)2	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H)	C[6a](N[3]Nb[3,5,6,6]C[3,5])(C[6a]C[6a]H)2{1|H<1>,1|P<4>,2|C<3>,2|N<3>,3|C<4>}	N[3](Nb[3,5,6,6]P[5,6,6]C[3,5]N[6]2C)(C[3,5]Nb[3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|C<4>,2|H<1>}	120.5330	1.481	2	120.5330	2.192	2	120.5330	2.192	2	120.5330	2.192	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	6:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3x3,5]-6:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[3x3,5]C[3,3])(C[6a]C[6a]C)2	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[3x3,5]C[3,3])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>,3|C<4>}	N[3](Nb[3x3,5]C[3,3]2C[3,5]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<3>,1|H<1>,2|C<4>}	120.1820	1.697	2	120.1820	2.880	2	120.1820	2.880	2	120.1820	2.880	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	7:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[3x3]C[3,3])(C[6a]C[6a]C)2	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[3x3]C[3,3])(C[6a]C[6a]C)2{3|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<3>,1|H<1>,2|C<4>}	119.0233	1.573	4	119.0233	2.475	4	119.0340	1.268	8	119.2427	1.521	10	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	7:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3x3]-7:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[3x3]C[3,3])(C[6a]C[6a]C)2	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[3x3]C[3,3])(C[6a]C[6a]C)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[3](Nb[3x3]C[3,3]2N[3]Cl3)(C[3,3]Nb[3x3]C[3,3]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<3>,1|H<1>,2|C<4>}	119.0447	0.695	4	119.0447	0.483	4	119.0340	1.268	8	119.2427	1.521	10	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	7:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[4x3,4]-7:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[4x3,4]C[3,3])(C[6a]C[6a]C)2	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[4x3,4]C[3,3])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>,4|C<4>}	N[3](Nb[4x3,4]C[3,3]3C[3,4]N[4]N)(C[3,3]Nb[4x3,4]C[3,3]C)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<3>,1|H<1>,2|C<4>}	120.0775	1.752	2	120.0775	3.068	2	120.0775	3.068	2	119.2427	1.521	10	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	8:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[3x3,5,6,6]-8:C[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Nb[3x3,5,6,6]C[3,5])(C[6a]C[6a]H)2	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H)	C[6a](N[3]Nb[3x3,5,6,6]C[3,5])(C[6a]C[6a]H)2{1|H<1>,1|P<4>,1|S<5>,2|C<3>,2|C<4>,2|N<3>,2|O<2>}	N[3](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[6]2O[3]2)(C[3,5]Nb[3x3,5,6,6]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,3|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]C)(H){1|Nb<8>,1|C<3>,1|C<4>,2|H<1>}	120.2500	0.494	2	120.2500	0.244	2	120.2500	0.244	2	120.2500	0.244	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	8:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[5x3]-8:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]C)2	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]C)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>,5|C<4>}	N[3](Nb[5x3]C[3,5,6]2C[3,3]3N[3]N)(C[3,3]Nb[5x3]C[3,3]C)(C[6a]C[6a]2){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	119.2283	1.495	4	119.2283	2.235	4	119.2283	2.235	4	119.2283	2.235	4	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	9:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[5x3]-9:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<4>,3|N<3>,4|C<3>}	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Nb<9>,1|C<4>,1|H<1>,2|C<3>}	114.9425	1.245	2	114.9425	1.551	2	114.9425	1.551	2	114.9425	1.551	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP2	C[6a]	N[3]	C[6a]	3:3:3:	9:4:3:	3:3:3:	N[3]-3:C[6a]-3:C[6a]-3:	Nb[5x3]-9:C[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[3]Nb[5x3]C[3,3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<4>,3|N<3>,4|C<3>}	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3,3]Nb[5x3]C[6a]O[3])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Nb<9>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.6665	1.142	2	124.6665	1.304	2	124.6665	1.304	2	124.6665	1.304	2	119.9666	2.271	136	119.9666	2.271	136
643	138	643	0:SP2_SP2_SP3	C[6,6a]	N[3,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6,6a]-3:N[3,6]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H)	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[6a](C[6,6a]C[6,6a]N[3,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[3,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	115.4990	0.000	1	115.4990	0.000	1	115.4990	0.000	1	119.1447	9.978	3	119.1447	9.978	3	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6,6a]	N[3,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[3,6]-3:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2)	C[6a](C[6,6a]C[6,6a]N[3,6])(C[6a]C[6a]H)(H)	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2){5|Si<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[3,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.9675	0.139	2	120.9675	0.019	2	120.9675	0.019	2	119.1447	9.978	3	119.1447	9.978	3	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[3]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[3]P[3,5]2)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[3]P[3,5]2){1|N<3>,2|H<1>,6|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|C<4>,1|P<2>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	119.9545	2.420	2	120.1185	7.087	4	120.1185	7.087	4	120.3165	9.007	6	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[3]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[3]P[3,5]2)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[3]P[3,5]2){1|N<3>,2|H<1>,6|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.2825	3.911	2	120.1185	7.087	4	120.1185	7.087	4	120.3165	9.007	6	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:C[6a]-3:C[6a]-3:	As[3,5]-3:As[3,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[3]As[3,5]2)(C[6a]C[6a]2)2	N[3](As[3,5]As[3,5]C[5])(As[3,5]As[3,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[3]As[3,5]2)(C[6a]C[6a]2)2{1|N<3>,2|H<1>,6|C<3>}	N[3](As[3,5]As[3,5]C[5])(As[3,5]As[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]2)(C[6a]C[6a]H){2|As<3>,1|H<1>,2|C<4>,4|C<3>}	120.7125	4.827	2	120.7125	23.304	2	120.7125	23.304	2	120.3165	9.007	6	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3]2){2|C<3>,5|H<1>}	N[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.2900	0.502	2	120.2900	0.252	2	120.2900	0.252	2	120.2900	0.252	2	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[3]C[3,5]2)	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[3]C[3,5]2){3|H<1>,4|C<3>}	N[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	119.5222	0.712	4	119.5222	0.507	4	119.5222	0.507	4	119.3441	1.146	9	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	118.1640	0.000	1	118.1640	0.000	1	118.2783	0.506	3	119.3441	1.146	9	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	117.6310	0.000	1	117.6310	0.000	1	118.2783	0.506	3	119.3441	1.146	9	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.0400	0.000	1	119.0400	0.000	1	118.2783	0.506	3	119.3441	1.146	9	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	C[3]-4:Si[3,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,5]C[3])(C[6a]C[6a]H)2	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,5]C[3])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[3](C[3]Si[3,5]C[6a]H)(Si[3,5]C[3]C[5]2)(C[6a]C[6a]2){4|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	120.5865	0.101	2	120.5865	0.010	2	120.5865	0.010	2	119.3441	1.146	9	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[3]C[3]2){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[3](C[3]C[6a]C[3]C)(C[3]C[3]Cl2)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,2|H<1>}	121.9420	0.000	1	121.9420	0.000	1	121.9420	0.000	1	122.0575	0.027	2	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	122.0575	0.027	2	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[3]C[3]2){3|C<3>,4|H<1>}	N[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[3]-3:C[6a]-3:C[6a]-3:	Si[3,4]-5:N[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[3]Si[3,4]N[3])(C[6a]C[6a]H)2	N[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H)	C[6a](N[3]Si[3,4]N[3])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[3](Si[3,4]N[3]N[4]2C)(N[3]Si[3,4]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	120.5340	4.769	2	120.5340	22.741	2	120.5340	22.741	2	120.5340	22.741	2	120.1162	4.106	24	120.0082	4.496	27
643	138	643	0:SP2_SP2_SP3	C[6a]	N[3]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[3]-3:C[6a]-3:C[6a]-3:	Ge[3,3]-5:B[3,3]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2	N[3](Ge[3,3]B[3,3]N[3]SS)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	C[6a](N[3]Ge[3,3]B[3,3])(C[6a]C[6a]C)2{1|C<3>,2|H<1>,2|N<3>,2|S<2>}	N[3](Ge[3,3]B[3,3]N[3]SS)(B[3,3]Ge[3,3]N[3]N)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.6740	0.907	2	119.6740	0.822	2	119.6740	0.822	2	119.6740	0.822	2	120.1162	4.106	24	120.0082	4.496	27
643	138	643	6:SP2_SP2_SP3	C[6,6a]	N[3,6]	C[6,6a]	3:3:3:	4:3:4:	3:3:3:	C[6,6a]-3:N[3,6]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[3]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H)	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[3,6](C[3,6]C[5a,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]HH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	124.6290	0.000	1	124.6290	0.000	1	124.6290	0.000	1	122.3465	10.420	2	122.3465	10.420	2	122.3465	10.420	2
643	138	643	6:SP2_SP2_SP3	C[6,6a]	N[3,6]	C[6,6a]	3:3:3:	4:3:4:	3:3:3:	N[3,6]-3:C[6,6a]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:Si[3,5]-4:	N[3,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2)	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	N[3,6](C[3,6]Si[3,5]C[3,6]H)(C[6,6a]C[6,6a]C[6a])(Si[3,5]C[3,6]C[5]2){5|Si<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[3,6]Si[3,5]C[3,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	122.3465	10.420	2	122.3465	10.420	2	122.3465	10.420	2
643	146	643	0:SP2_SP-NON_SP2	C[6,6a]	I[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:I[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a])	I[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]I[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	I[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]I[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	118.0847	1.178	4	118.0847	1.389	4	117.7967	1.081	6	117.7967	1.081	6	117.7967	1.081	6	117.7967	1.081	6
643	146	643	0:SP2_SP-NON_SP2	C[6,6a]	I[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:I[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a])	I[6](C[6,6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]I[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){3|H<1>,4|C<3>}	I[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]I[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.2205	0.496	2	117.2205	0.246	2	117.7967	1.081	6	117.7967	1.081	6	117.7967	1.081	6	117.7967	1.081	6
643	146	643	6:SP2_SP-NON_SP2	C[6,6a]	I[6]	C[6,6a]	3:3:2:	3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:I[6]-2:	C[6,6a]-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])(C[6a]C[6a]H)(I[6]C[6,6a])	I[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	I[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	118.0327	0.880	4	118.0327	0.775	4	118.0327	0.775	4	118.0327	0.775	4	118.1743	0.555	6	118.1743	0.555	6
643	146	643	6:SP2_SP-NON_SP2	C[6,6a]	I[6]	C[6,6a]	3:3:2:	3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:I[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])(C[6a]C[6a]H)(I[6]C[6,6a])	I[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){3|H<1>,4|C<3>}	I[6](C[6,6a]C[6,6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.4575	0.460	2	118.4575	0.212	2	118.4575	0.212	2	118.4575	0.212	2	118.1743	0.555	6	118.1743	0.555	6
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9250	0.000	1	119.9250	0.000	1	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CH6){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<7>,1|H<1>}	120.7250	0.069	3	120.8873	0.313	6	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CH6){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.4780	0.000	1	120.8873	0.313	6	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CH6){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	120.8355	1.060	2	120.8873	0.313	6	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)2(CH6){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6920	0.767	2	120.7382	0.344	5	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)2(CH6){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H){1|C<3>,1|H<1>,1|O<2>}	120.8810	0.841	2	120.7382	0.344	5	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)2(CH6){3|C<3>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	120.5450	0.000	1	120.7382	0.344	5	120.7450	0.340	12	120.7450	0.340	12	120.9035	0.638	13	120.9035	0.638	13
643	170	643	0:SP2_SP2_SPD7	C[6a]	C	C[6a]	3:3:7:	3:1:1:1:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:H-1:H-1:H-1:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6)	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]2)(H)6	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	120.9035	0.638	13	120.9035	0.638	13
643	194	643	0:SP2_SP2_SP3	C[6,6a]	O[6]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-3:	C[6,6a]-3:In[6]-4:In-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In)	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)(InClCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)(InClCC){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC3){2|In<4>,1|C<3>,2|C<4>}	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1
643	194	643	6:SP2_SP2_SP3	C[6,6a]	O[6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:O[6]-3:	C[6,6a]-3:In[6]-4:In-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In)	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)(InClCC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(In[6]N[6]CC)(InClCC){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<4>,1|C<3>,1|H<1>,3|C<4>}	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1
643	206	371	0:SP2_SP1_SP2	C[6,6a]	C[6]	N[6a]	3:2:2:	3:2:	3:3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]N[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]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	120.1213	2.608	3	120.1213	2.608	3
643	206	371	0:SP2_SP1_SP2	C[6,6a]	C[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:C[6]-2:N[6a]-2:	C[6,6a]-3:C[3x6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2)	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]){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|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>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	119.9045	4.933	2	120.1213	2.608	3	120.1213	2.608	3
643	206	371	0:SP2_SP1_SP2	C[6,6a]	C[6]	N[6a]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]N[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]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|N<2>,2|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>}	121.4750	0.000	1	121.4750	0.000	1	121.4750	0.000	1	119.9045	4.933	2	120.1213	2.608	3	120.1213	2.608	3
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[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[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6,6a])	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>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br){1|H<1>,1|N<2>,3|C<3>}	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>}	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	112.5096	20.023	7	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a]){7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2{8|C<3>}	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	110.9108	2.558	6	112.5096	20.023	7	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[6,6a]-3:C[5,6]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]){7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5,6,6a]C[6])2{8|C<3>}	109.8980	1.816	3	109.8980	3.298	3	109.8980	3.298	3	110.9108	2.558	6	112.5096	20.023	7	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a]){7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])2{8|C<3>}	111.9335	0.194	2	111.9335	0.038	2	111.9335	0.038	2	110.9108	2.558	6	112.5096	20.023	7	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6])2(O)	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]C[6])2(O){1|C<3>,1|S<2>,3|C<2>}	116.0440	0.000	1	116.0440	0.000	1	116.0440	0.000	1	120.6010	41.532	2	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	120.6010	41.532	2	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){4|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	123.9540	0.000	1	123.9540	0.000	1	123.9540	0.000	1	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])2(O)	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|Br<1>,1|C<3>,2|C<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]C[6])2(O){1|C<3>,1|S<2>,3|C<2>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	124.7450	0.000	1	124.8430	1.273	3	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	123.7670	0.000	1	124.8430	1.273	3	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Ru<8>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	126.0170	0.000	1	124.8430	1.273	3	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.7525	0.397	2	121.7444	1.232	5	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.5410	0.000	1	121.7444	1.232	5	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	122.4090	0.000	1	121.7444	1.232	5	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){4|C<3>}	123.2670	0.000	1	121.7444	1.232	5	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	123.2860	0.000	1	123.2860	0.000	1	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]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[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	122.3840	0.000	1	122.3840	0.000	1	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	123.3230	0.000	1	123.3230	0.000	1	122.9313	2.606	11	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|Br<1>,5|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	122.6779	3.488	15	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	128.6470	0.000	1	128.6470	0.000	1	128.6470	0.000	1	125.0160	26.368	2	122.7054	7.571	19	119.9603	31.527	26
643	206	643	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2){1|H<1>,5|C<3>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	125.0160	26.368	2	122.7054	7.571	19	119.9603	31.527	26
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.5240	0.000	1	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:2:2:	3:2:	3:3:2:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|Br<1>,1|C<2>,2|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|Br<1>,1|C<3>,2|C<2>}	119.9880	0.000	1	121.0545	2.275	2	121.0545	2.275	2	121.0545	2.275	2	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:2:2:	3:2:	3:3:2:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|C<3>,2|C<2>}	122.1210	0.000	1	121.0545	2.275	2	121.0545	2.275	2	121.0545	2.275	2	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:2:2:	3:2:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	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])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])	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>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]){1|H<1>,3|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>}	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	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[3x6]-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])	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2)	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>}	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	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[6]-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])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	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>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<2>,2|H<1>,3|C<3>}	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|Br<1>,1|C<3>,2|C<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<2>,1|O<1>,2|C<3>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	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>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6])	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6]){1|C<2>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6]){1|C<2>,1|O<2>,1|S<2>,3|C<3>}	119.0195	0.276	2	119.0195	0.076	2	119.0195	0.076	2	118.5420	0.519	4	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	117.5320	0.000	1	117.5320	0.000	1	117.5320	0.000	1	118.5420	0.519	4	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	118.5420	0.519	4	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	116.9520	0.000	1	116.9520	0.000	1	116.7887	0.139	3	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){2|H<1>,4|C<3>}	117.0520	0.000	1	117.0520	0.000	1	116.7887	0.139	3	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Ru<8>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	116.3620	0.000	1	116.3620	0.000	1	116.7887	0.139	3	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	118.2400	0.000	1	118.2400	0.000	1	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	117.7420	0.000	1	117.7420	0.000	1	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.2650	0.000	1	120.2650	0.000	1	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	118.6460	0.000	1	118.6460	0.000	1	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	120.5350	0.000	1	120.5350	0.000	1	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	120.8240	0.000	1	119.4107	1.531	3	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	118.8850	0.000	1	119.4107	1.531	3	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	118.5230	0.000	1	119.4107	1.531	3	119.2075	1.352	8	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]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]C[6a]H)(N[6]C[6]Cd){1|C<4>,2|C<3>,2|H<1>}	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	643	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	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>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	118.5124	1.977	13	118.8184	2.235	26	118.8075	2.153	27
643	206	727	0:SP2_SP1_SP2	C[6,6a]	C[6]	C[5,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:S[5]-2:	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5])	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6]){1|C<2>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(S[5]C[5]){2|C<2>,3|C<3>}	122.8375	0.538	2	122.8375	0.290	2	122.8375	0.290	2	122.8375	0.290	2	122.8375	0.290	2	122.8375	0.290	2
643	206	727	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[5,6,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a]){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	119.3036	6.959	5	119.3036	6.959	5	119.3741	5.668	7
643	206	727	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[5,6,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[6,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6a]C[6a,6a]C[6]){7|C<3>}	120.7693	1.946	3	120.7693	3.788	3	120.7693	3.788	3	119.3036	6.959	5	119.3036	6.959	5	119.3741	5.668	7
643	206	727	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[5,6,6a]	3:3:2:	3:3:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|P<3>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|P<3>,2|C<3>,6|H<1>}	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	119.3036	6.959	5	119.3036	6.959	5	119.3741	5.668	7
643	206	727	6:SP2_SP1_SP2	C[6,6a]	C[6]	C[5a,6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a])	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a]){7|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6a,6a]C[6]){7|C<3>}	119.5505	2.467	2	119.5505	6.087	2	119.5505	6.087	2	119.5505	6.087	2	119.5505	6.087	2	119.3741	5.668	7
643	206	813	0:SP2_SP1_SP2	C[6,6a]	C[6]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1	122.6080	0.000	1
643	206	929	0:SP2_SP1_SP2	C[6,6a]	C[6]	S[6a]	3:2:2:	3:2:	3:3:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	S[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|Br<1>,1|C<2>,2|C<3>}	S[6a](C[6,6a]C[6,6a]C[6])2{1|C<3>,4|C<2>}	114.8330	0.000	1	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2
643	206	929	0:SP2_SP1_SP2	C[6,6a]	C[6]	S[6a]	3:2:2:	3:2:	3:3:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	S[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|C<2>,2|C<3>}	S[6a](C[6,6a]C[6,6a]C[6])2{1|C<3>,4|C<2>}	116.1500	0.000	1	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2	115.4915	0.867	2
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a,6a]	3:3:2:	3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:Ge-2:	C[6a]-3:Cl-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(GeCl)	Ge(C[6a]C[6a,6a]2)(Cl)	C[6a,6a](C[6a]C[6a,6a]Ge)(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(GeCl){2|O<2>,5|C<3>}	Ge(C[6a]C[6a,6a]2)(Cl)	C[6a,6a](C[6a]C[6a,6a]Ge)(C[6a,6a]C[6a]2)(C[6a]C[6a]O){3|C<3>,3|H<1>}	120.7770	0.512	2	120.7770	0.262	2	120.7770	0.262	2	120.7770	0.262	2	120.7770	0.262	2	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(GeCl)	Ge(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)2(GeCl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	120.6295	3.536	2	120.6295	12.505	2	120.6295	12.505	2	120.6295	12.505	2	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeGe){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	121.6970	2.175	4	121.6970	4.729	4	121.6970	4.729	4	121.3053	17.021	6	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeO)	Ge(C[6a]C[6a]2)(OC[6])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeO){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(OC[6])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.5220	8.311	2	120.5220	69.078	2	120.5220	69.078	2	121.3053	17.021	6	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H)	C[6a](C[6a]C[6a]C)2(GeGe){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	120.3300	1.901	4	120.3300	3.615	4	120.3300	3.615	4	120.3300	3.615	4	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeC[6a])	Ge(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeC[6a]){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,4|C<3>}	120.3700	9.711	4	120.3700	94.308	4	120.3700	94.308	4	119.8428	78.161	10	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:Ge-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeGe){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(GeC[6a]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.8110	8.764	2	120.8110	76.806	2	120.8110	76.806	2	119.8428	78.161	10	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeN)	Ge(C[6a]C[6a]2)(NC[3x6]Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeN){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(NC[3x6]Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	118.8315	10.593	4	118.8315	112.213	4	118.8315	112.213	4	119.8428	78.161	10	120.3964	35.960	24	120.4257	33.104	26
643	210	643	0:SP2_SP1_SP2	C[6a]	Ge	C[6a]	3:3:2:	6:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	Nb[3x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeNb[3x6])	Ge(Nb[3x6]P[6,6]3CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeNb[3x6]){2|H<1>,5|C<3>}	Ge(Nb[3x6]P[6,6]3CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.3375	2.650	2	120.3375	7.020	2	120.3375	7.020	2	120.3375	7.020	2	120.3964	35.960	24	120.4257	33.104	26
643	217	217	0:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a,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>}	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	117.2382	9.206	4
643	217	217	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	119.5730	1.360	2	119.5730	1.851	2	119.5730	1.851	2	119.5730	1.851	2	117.5473	13.235	3	117.2382	9.206	4
643	217	217	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[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]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	117.5473	13.235	3	117.2382	9.206	4
643	217	217	6:SP2_SP2_SP2	C[6,6a]	N[6,6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:1:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	115.8480	0.138	3	115.8480	0.019	3	115.8480	0.019	3	115.8480	0.019	3	115.8480	0.019	3	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	116.1500	0.000	1	116.1500	0.000	1	116.1500	0.000	1	117.3585	2.921	2	117.3585	2.921	2	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[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]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	117.3585	2.921	2	117.3585	2.921	2	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[3x6a]	3:3:2:	3:3:1:	3:3:3:	N[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	116.0340	0.161	3	116.0340	0.026	3	116.0340	0.026	3	116.0340	0.026	3	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6,6a]-3:N[6a]-3:S-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.9000	0.000	1	115.9000	0.000	1	115.5004	0.222	5	115.5004	0.222	5	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.9250	0.000	1	115.4005	0.229	4	115.5004	0.222	5	115.5004	0.222	5	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.5590	0.439	3	115.4005	0.229	4	115.5004	0.222	5	115.5004	0.222	5	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:3:1:	4:3:3:	3:3:4:	N[6,6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7594	0.198	10	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	115.2575	0.445	2	115.2575	0.445	2	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	115.2575	0.445	2	115.2575	0.445	2	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:2:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:2:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)2(H){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	114.9127	0.333	3	114.9127	0.111	3	114.9127	0.111	3	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	116.7543	0.261	3	116.7543	0.068	3	116.7543	0.068	3	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	115.9225	0.381	2	115.9225	0.145	2	115.9225	0.145	2	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.8280	1.111	4	116.4183	1.151	6	116.4183	1.151	6	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.5990	0.197	2	116.4183	1.151	6	116.4183	1.151	6	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.6605	0.138	2	115.6605	0.019	2	115.9459	0.166	14	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.0890	0.408	9	115.9934	0.177	12	115.9459	0.166	14	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	115.7067	0.377	3	115.9934	0.177	12	115.9459	0.166	14	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.5635	0.449	10	115.0163	0.887	39	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.8276	0.998	29	115.0163	0.887	39	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.6300	0.000	2	114.6300	0.000	2	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.3190	0.000	1	115.1947	0.408	4	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.4867	0.317	3	115.1947	0.408	4	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	114.9590	0.000	1	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.3464	0.543	16	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	115.3681	0.536	35	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	114.5085	0.278	2	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.7262	0.727	6	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	114.9370	0.000	1	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	115.9020	0.000	1	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.9630	0.000	1	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.2643	1.281	12	115.1031	0.663	75	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	115.8980	0.420	2	115.8980	0.176	2	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.3590	0.000	1	114.3590	0.000	1	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	114.8520	0.000	1	114.8520	0.000	1	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	113.8920	0.000	1	113.8920	0.000	1	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.6305	0.317	2	114.8243	0.625	8	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	115.7585	0.982	2	114.8243	0.625	8	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	114.4540	0.560	4	114.8243	0.625	8	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.8285	0.459	2	114.8230	0.105	3	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.8120	0.000	1	114.8230	0.105	3	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	113.9060	0.000	1	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	115.3760	0.000	1	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	115.1266	0.580	23	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	114.7790	0.000	1	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	113.9440	0.000	1	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	115.7840	0.000	1	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	113.7338	0.328	8	114.7658	0.643	36	114.9880	0.690	172	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	115.6047	0.668	10	115.6047	0.446	10	115.6047	0.446	10	115.1862	0.987	211	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	117.3323	0.070	3	117.3323	0.005	3	116.9187	0.277	6	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	116.4270	0.000	1	116.4270	0.000	1	116.9187	0.277	6	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	116.5440	0.581	2	116.5440	0.338	2	116.9187	0.277	6	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	115.2660	0.000	1	115.2660	0.000	1	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	116.2400	0.000	1	116.2400	0.000	1	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	114.8422	0.567	13	114.8422	0.321	13	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	114.2710	0.000	1	114.2710	0.000	1	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	114.2705	0.456	2	114.2705	0.208	2	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	115.3010	0.280	2	115.3010	0.078	2	114.8897	0.381	21	115.3406	1.085	27	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:2:	3:3:2:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OC)	N[6a](C[6a]N[6a]O)2(OC)	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	112.0360	0.148	3	112.0360	0.022	3	112.3685	0.165	6	112.3685	0.165	6	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:2:	3:3:2:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OH)	N[6a](C[6a]N[6a]O)2(OH)	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	112.7010	0.242	3	112.7010	0.059	3	112.3685	0.165	6	112.3685	0.165	6	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.7202	0.454	4	114.7202	0.206	4	114.7391	0.180	10	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	114.4613	0.081	3	114.4613	0.007	3	114.7391	0.180	10	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	115.3600	0.000	1	115.3600	0.000	1	114.7391	0.180	10	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.4770	0.000	1	114.8830	0.330	2	114.7391	0.180	10	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	115.2890	0.000	1	114.8830	0.330	2	114.7391	0.180	10	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	116.7020	0.000	1	116.7020	0.000	1	116.1855	0.534	2	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	115.6690	0.000	1	115.6690	0.000	1	116.1855	0.534	2	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	113.3990	0.000	1	113.3990	0.000	1	115.0800	1.278	4	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	115.8480	0.000	1	115.8480	0.000	1	115.0800	1.278	4	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	115.5365	0.036	2	115.5365	0.001	2	115.0800	1.278	4	115.0051	0.634	16	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])2(H){7|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	123.2510	0.000	1	123.2510	0.000	1	124.0475	1.269	2	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])2(H){2|N<3>,5|C<3>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	124.8440	0.000	1	124.8440	0.000	1	124.0475	1.269	2	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	122.5523	0.535	4	122.3162	0.313	6	122.3162	0.313	6	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	121.8440	0.188	2	122.3162	0.313	6	122.3162	0.313	6	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CHH){4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCH)	N[6a](C[6a]N[6a]O)2(CCH)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	114.7530	1.420	3	114.7530	2.017	3	114.7530	2.017	3	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)2(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](N[6a]C[6a]2)2(O){1|N<3>,2|O<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	115.1922	0.407	24	115.1922	0.166	24	115.1922	0.166	24	116.8829	10.648	36	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	115.3930	0.912	4	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	115.3930	0.912	4	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(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]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	115.3930	0.912	4	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	115.3930	0.912	4	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	116.1860	0.248	3	116.1860	0.061	3	116.1860	0.061	3	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	117.3220	0.000	1	116.9080	0.467	3	116.9080	0.467	3	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	116.7010	0.823	2	116.9080	0.467	3	116.9080	0.467	3	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-1:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	117.1180	0.000	1	117.1180	0.000	1	116.9130	0.135	14	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	116.8972	0.378	13	116.8972	0.143	13	116.9130	0.135	14	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.1020	0.000	2	116.1020	0.000	2	116.1028	0.265	5	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.9430	0.000	1	116.9430	0.000	1	116.1028	0.265	5	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.7100	0.000	1	115.7100	0.000	1	116.1028	0.265	5	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.6570	0.000	1	115.6570	0.000	1	116.1028	0.265	5	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.0030	0.000	1	116.0030	0.000	1	116.3625	0.572	13	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.5277	0.177	3	116.5277	0.031	3	116.3625	0.572	13	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	116.4608	1.202	5	116.3474	0.824	9	116.3625	0.572	13	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.2057	0.473	4	116.3474	0.824	9	116.3625	0.572	13	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.3340	0.651	5	115.3340	0.424	5	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.9545	2.047	2	114.9545	4.191	2	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.6977	0.570	31	114.8867	0.401	59	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	115.2305	0.601	22	114.8867	0.401	59	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.6028	0.595	6	114.8867	0.401	59	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.5665	0.340	4	114.5665	0.116	4	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.6160	0.000	1	114.6160	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.4110	0.218	3	114.8496	0.631	7	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	115.4120	0.000	1	114.8496	0.631	7	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.1007	0.610	3	114.8496	0.631	7	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.5145	0.336	2	115.5145	0.113	2	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.4230	0.000	1	114.4230	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.9700	0.000	1	115.9700	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.3095	0.377	2	115.3095	0.142	2	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.9380	0.000	1	115.9380	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.3200	0.000	1	116.3200	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.8920	0.000	1	115.8920	0.000	1	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	117.3050	0.000	1	116.1763	1.218	3	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	116.1240	0.000	1	116.1763	1.218	3	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	115.1000	0.000	1	116.1763	1.218	3	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	115.6260	0.515	2	115.6260	0.265	2	115.0184	0.538	92	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.7640	0.000	1	114.7640	0.000	1	114.7640	0.000	1	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.2010	0.000	1	115.0072	0.031	4	115.0072	0.031	4	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.9440	0.000	1	115.0072	0.031	4	115.0072	0.031	4	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.0870	0.000	1	115.0072	0.031	4	115.0072	0.031	4	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.7970	0.000	1	115.0072	0.031	4	115.0072	0.031	4	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	115.4639	0.981	137	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.8170	0.104	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	114.8170	0.104	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.8170	0.104	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	118.0900	0.000	2	118.0900	0.000	2	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.2029	0.416	14	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.7445	0.616	2	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.0170	0.990	2	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	116.6290	0.000	1	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.1921	0.177	10	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2375	0.588	2	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2235	0.655	6	117.1549	0.198	37	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.9390	0.091	2	115.9390	0.008	2	117.1412	0.296	41	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	117.2830	0.000	1	117.2830	0.000	1	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	117.2450	0.481	2	117.2450	0.231	2	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	116.7530	0.313	2	116.7530	0.098	2	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.7660	0.000	1	116.7660	0.000	1	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	116.9210	0.355	2	116.9210	0.126	2	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	117.0404	0.713	8	117.0404	0.509	8	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	117.9530	0.000	1	117.9530	0.000	1	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.3427	0.668	4	117.2494	0.293	202	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2351	0.535	192	117.2494	0.293	202	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	117.5525	0.883	2	117.2494	0.293	202	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	118.1450	0.000	1	117.2494	0.293	202	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	117.5390	0.622	3	117.2494	0.293	202	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	117.0310	0.000	1	117.0310	0.000	1	117.2344	0.296	220	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.9900	0.000	1	115.9900	0.000	1	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.5430	0.000	1	116.5430	0.000	1	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	116.2470	0.000	1	116.2470	0.000	1	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2350	0.000	1	116.8357	0.415	9	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	116.9430	0.000	1	116.8357	0.415	9	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.9260	0.811	5	116.8357	0.415	9	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.2660	0.000	1	116.8357	0.415	9	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.4470	0.000	1	116.8357	0.415	9	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.1005	0.337	13	116.0935	0.128	19	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.0785	0.435	6	116.0935	0.128	19	116.3251	0.305	31	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	116.8205	0.120	2	116.8205	0.014	2	116.7971	0.138	26	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.0505	0.369	8	116.7951	0.150	24	116.7971	0.138	26	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	116.6674	0.337	16	116.7951	0.150	24	116.7971	0.138	26	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	116.1780	0.000	1	116.1780	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.8250	0.000	1	116.8250	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	115.6150	0.431	3	115.6150	0.186	3	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	115.5087	0.499	3	115.4100	0.205	4	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	115.1140	0.000	1	115.4100	0.205	4	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.5670	0.000	1	115.5670	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.9830	0.000	1	116.9830	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.8020	0.438	2	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.1890	0.000	1	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	117.0110	0.000	1	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	116.5029	0.300	9	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.2543	0.901	7	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	116.1159	0.584	10	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	116.8708	0.781	6	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	118.9645	0.359	2	116.7743	0.771	38	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.4300	0.319	7	116.4300	0.102	7	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	115.6956	0.319	9	115.6956	0.101	9	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.6835	0.356	2	116.5460	0.269	5	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	117.0940	0.000	1	116.5460	0.269	5	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.7650	0.000	1	116.5460	0.269	5	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	116.5040	0.000	1	116.5460	0.269	5	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	115.7040	0.000	1	115.7040	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]N[6a]O)2(CH3)	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	115.5805	0.095	2	115.5805	0.009	2	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	C[6a](N[6a]C[6a]C)2(O){1|O<2>,2|O<1>}	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	115.9440	0.000	1	115.9440	0.000	1	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH)	N[6a](C[6a]N[6a]O)2(CCHH)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	115.5282	0.633	27	115.5282	0.401	27	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	115.7080	0.149	3	115.7080	0.022	3	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3)	N[6a](C[6a]N[6a]O)2(CH3)	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	115.7323	0.364	6	115.7323	0.132	6	116.1277	0.721	110	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.0517	0.168	4	116.7705	0.231	21	116.7705	0.231	21	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	116.7043	0.509	17	116.7705	0.231	21	116.7705	0.231	21	116.8442	0.610	451	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	117.5120	0.000	1	116.5293	0.848	3	116.5293	0.848	3	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.0380	0.498	2	116.5293	0.848	3	116.5293	0.848	3	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){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])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	117.4260	0.000	1	117.4260	0.000	1	117.0885	0.228	2	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	116.7510	0.000	1	116.7510	0.000	1	117.0885	0.228	2	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	3:4:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.9700	0.523	7	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:2:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	113.9350	0.624	2	114.2353	0.465	3	114.2353	0.465	3	114.2353	0.465	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:2:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	114.8360	0.000	1	114.2353	0.465	3	114.2353	0.465	3	114.2353	0.465	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:2:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.3743	0.641	3	115.0661	0.554	8	115.0661	0.554	8	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.7670	1.431	2	115.0661	0.554	8	115.0661	0.554	8	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.2480	0.000	1	115.0661	0.554	8	115.0661	0.554	8	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.8120	0.621	2	115.0661	0.554	8	115.0661	0.554	8	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	114.7390	0.000	1	114.8945	0.048	2	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.0500	0.000	1	114.8945	0.048	2	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.6010	0.000	1	114.6010	0.000	1	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.2860	0.791	2	115.2860	0.625	2	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.8360	0.000	1	115.8360	0.000	1	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.1647	0.490	4	115.0940	0.205	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.8110	0.000	1	115.0940	0.205	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.1420	0.000	1	115.2915	0.252	6	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.3820	0.000	1	115.2915	0.252	6	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.3010	0.000	1	115.2915	0.252	6	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.7240	0.000	2	115.2915	0.252	6	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.4760	0.000	1	115.2915	0.252	6	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.3620	0.000	1	115.6180	0.053	3	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	115.7460	0.088	2	115.6180	0.053	3	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.5760	0.344	2	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	115.0000	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.4250	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	115.1155	0.077	2	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	114.3060	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	115.9364	0.395	5	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.7010	0.167	4	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	114.4730	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.5430	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.9482	0.331	5	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	113.7815	1.001	2	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.5190	0.140	2	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.5832	0.655	11	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.4867	0.350	3	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.3529	0.398	7	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.3308	0.398	5	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.5551	0.547	30	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.6637	1.081	3	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	114.1118	0.433	6	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.9150	0.000	1	114.6257	0.393	93	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	114.4340	0.000	2	114.8264	0.208	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.9360	0.000	1	114.8264	0.208	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.5400	0.000	1	114.8264	0.208	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.7880	0.000	1	114.8264	0.208	5	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.2790	0.000	1	114.6807	0.263	4	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.9400	0.000	1	114.6807	0.263	4	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	114.2280	0.000	1	114.6807	0.263	4	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.2760	0.000	1	114.6807	0.263	4	114.7370	0.401	122	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	115.2107	0.222	6	115.2107	0.049	6	115.2107	0.049	6	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.6410	0.095	2	114.6410	0.009	2	114.5647	0.022	3	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:1:	N[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	114.4120	0.000	1	114.4120	0.000	1	114.5647	0.022	3	114.7727	0.397	139	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	114.6270	0.000	1	114.6270	0.000	1	114.6517	0.038	3	114.6517	0.038	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	114.6640	0.276	2	114.6640	0.076	2	114.6517	0.038	3	114.6517	0.038	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	114.8710	0.000	1	114.8710	0.000	1	114.9144	0.181	5	114.9144	0.181	5	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	115.3650	0.000	1	115.1343	0.098	3	114.9144	0.181	5	114.9144	0.181	5	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	115.0190	0.342	2	115.1343	0.098	3	114.9144	0.181	5	114.9144	0.181	5	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:1:	4:3:3:	3:3:4:	N[6a]-3:N[6a]-3:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	114.2980	0.000	1	114.2980	0.000	1	114.9144	0.181	5	114.9144	0.181	5	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.7800	0.444	2	119.7800	0.197	2	119.7800	0.197	2	118.8363	2.770	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)2(NHH){1|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	118.8363	2.770	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	217	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2{1|H<1>,1|P<3>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	121.0230	0.165	3	121.0230	0.027	3	121.0230	0.027	3	121.0230	0.027	3	115.9501	1.965	1057	115.9521	1.947	1076
643	217	286	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	S[6]	3:2:2:	3:3:3:	3:4:	N[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	S[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CC){1|H<1>,3|C<3>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1
643	217	371	0:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[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[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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,6a]-3:C[6a]-3:	C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)	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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	114.7250	0.208	2	114.7250	0.043	2	114.7250	0.043	2	114.7250	0.043	2	114.7250	0.043	2	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-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[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	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[6a]N[6a]O)(H){1|H<1>,3|C<3>}	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>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-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[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])	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[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5]){3|C<3>,3|C<4>}	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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])(C[6a]N[6a]O)(CH3)	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]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]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	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>}	116.5930	0.000	1	116.7110	0.431	8	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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])(C[6a]N[6a]O)(CH3)	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]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]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	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>}	116.3480	0.000	1	116.7110	0.431	8	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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])(C[6a]N[6a]O)(CH3)	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]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]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){2|C<4>,5|C<3>}	116.3730	0.485	4	116.7110	0.431	8	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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])(C[6a]N[6a]O)(CH3)	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]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]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	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>}	117.6275	0.156	2	116.7110	0.431	8	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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])(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	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])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<4>,5|C<3>}	115.7835	0.805	4	115.7835	0.649	4	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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]N[6a]O)(CH3)	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]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]N[6a]O)(CH3){1|C<4>,1|N<2>,2|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>}	118.5000	0.000	1	118.5000	0.000	1	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,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]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	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])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{1|N<2>,2|C<4>,4|C<3>}	117.9280	0.252	2	117.9280	0.063	2	116.7452	1.044	15	116.6762	1.050	16	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[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[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	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[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	117.2020	0.040	2	117.2020	0.002	2	117.2020	0.002	2	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[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])(H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	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])(H){5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[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)(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)	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)(H){3|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,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])(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]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])(H){1|H<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>}	115.9300	0.000	1	115.5415	0.302	2	117.6912	3.953	5	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,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])(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]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])(H){1|C<4>,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>}	115.1530	0.000	1	115.5415	0.302	2	117.6912	3.953	5	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:	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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	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]){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]N[6a])(H){1|H<1>,1|N<2>,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>}	119.2750	0.000	1	119.1243	0.053	3	117.6912	3.953	5	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:	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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	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]){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]N[6a])(H){1|H<1>,1|N<2>,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>}	119.2390	0.000	1	119.1243	0.053	3	117.6912	3.953	5	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:	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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	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]){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,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>}	118.8590	0.000	1	119.1243	0.053	3	117.6912	3.953	5	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[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,6a]C[3x6a]N[6a])(H)	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]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,6a]C[3x6a]N[6a])(H){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	113.2530	0.709	2	113.2530	0.502	2	114.1033	2.420	3	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	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])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.8040	0.000	1	115.8040	0.000	1	114.1033	2.420	3	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[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]O)(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]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]O)(H){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>}	113.4460	0.000	1	113.4460	0.000	1	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	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]2)(H){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.4550	0.000	1	116.4550	0.000	1	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	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]O)(H){1|H<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>}	115.2000	0.000	1	115.2000	0.000	1	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	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]O)(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	116.4000	0.000	1	116.4000	0.000	1	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	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]O)(H){1|H<1>,3|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>}	116.3360	0.286	4	116.3360	0.082	4	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]C[6a]O)(H){1|Br<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	116.6090	0.000	1	116.6090	0.000	1	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]N[6a]O)(H){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	116.9760	0.506	2	116.2947	1.532	4	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]N[6a]O)(H){1|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>}	116.7280	0.000	1	116.2947	1.532	4	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]N[6a]O)(H){1|H<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>}	114.4990	0.000	1	116.2947	1.532	4	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	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]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[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]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,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|H<1>,1|N<2>,2|C<3>}	117.9283	0.405	9	117.9283	0.164	9	116.8176	1.601	22	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	N[3x6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	117.1320	4.201	35	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	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]-3:	C[6a,6a]-3:C[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]C[6a]2)2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H)	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]C[6a]2)2{2|H<1>,8|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H){4|C<3>}	118.7320	0.404	2	118.7320	0.164	2	118.7320	0.164	2	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[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]N[6a])(N[6a]C[6a,6a]C[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]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|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>}	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[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]-3:	C[6a,6a]-3:C[6a]-3:	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]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	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]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	118.2730	0.117	2	118.2730	0.014	2	118.2730	0.014	2	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[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,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]){1|H<1>,1|N<3>,5|C<3>}	N[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>,1|N<3>,3|H<1>,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>}	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[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,6a]-3:C[6a]-3:	C[6a,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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<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>}	114.7080	0.000	1	114.7080	0.000	1	117.0690	4.192	3	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[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,6a]-3:C[6a]-3:	C[6a,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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){5|C<3>}	118.2495	0.149	2	118.2495	0.022	2	117.0690	4.192	3	118.1461	1.813	9	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3: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[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[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[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3: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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	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>}	118.0620	0.153	2	118.6128	0.271	6	118.7323	0.325	7	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3: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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	118.8882	0.374	4	118.6128	0.271	6	118.7323	0.325	7	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3: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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	N[6a](C[6a,6a]C[6a,6a]N[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]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	119.4490	0.000	1	119.4490	0.000	1	118.7323	0.325	7	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	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[5a,6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<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>}	116.9600	0.000	1	116.9600	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]2)(CC[6a]HH){1|H<1>,5|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>}	116.0075	0.121	2	116.0075	0.015	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	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]H)(CCHH){4|C<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>}	116.0962	0.172	9	116.0962	0.030	9	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	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)(CCHH){4|C<3>}	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>}	116.2300	0.095	2	116.2300	0.009	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])	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]C[6a]H)(CCHH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5]){3|C<3>,3|C<4>}	117.6030	0.000	1	117.6030	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])	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]C[6a]H)(CCHH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	116.9565	0.342	8	116.9565	0.117	8	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	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]O)(CH3){4|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>}	116.2378	0.124	4	116.2772	0.019	5	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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]O)(CH3){1|N<3>,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>}	116.4350	0.000	1	116.2772	0.019	5	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]N[6a]O)(CH3){1|C<4>,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>}	116.1210	0.000	1	116.1250	0.000	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	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]N[6a]O)(CH3){1|C<4>,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>}	116.1290	0.000	1	116.1250	0.000	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	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]N[6a]O)(CH3){4|C<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>}	115.4810	0.000	1	115.4810	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[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<3>,2|H<1>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	116.8860	0.320	4	116.8860	0.103	4	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	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]N[6a]O)(CH3){1|C<4>,3|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>}	115.7800	0.000	1	115.7800	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,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]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	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]O)(CH3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	117.0295	0.692	2	117.0295	0.479	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[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]){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]O)(CCHH){1|N<3>,1|O<1>,2|C<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>}	116.5620	0.399	2	116.5620	0.159	2	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]N[6a]N)(CHHO)	N[6a](C[6a,6a]C[6a,6a]N[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]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<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>}	118.0000	0.000	1	118.0000	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[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]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<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>}	117.8335	0.561	4	117.3543	0.618	8	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[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]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<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>}	116.8750	0.718	4	117.3543	0.618	8	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[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]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<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>}	117.5680	0.000	1	117.5680	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[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]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	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]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<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>}	117.3530	0.000	1	117.3530	0.000	1	116.6850	0.462	51	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,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]2)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	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]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|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>}	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	116.9547	0.935	60	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:4:3:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,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[5]C[5]O[5]H)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(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[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	116.3120	0.466	3	116.3120	0.217	3	116.6317	0.554	4	116.6317	0.554	4	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:3:2:	3:4:3:	3:3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,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[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	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[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	117.5910	0.000	1	117.5910	0.000	1	116.6317	0.554	4	116.6317	0.554	4	117.0222	2.035	125	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]-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,6a]O)(C[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[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,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	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)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>}	116.6330	0.000	1	116.6330	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.4440	0.000	1	114.4440	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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,6a]O)2{1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.6930	0.000	1	114.6930	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]H)(N[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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.1750	0.457	2	114.1750	0.209	2	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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]C)(C[6a]C[6a]O){1|C<4>,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>}	114.9510	0.000	1	115.3340	0.155	3	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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]C)(C[6a]C[6a]O){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>}	115.5255	0.299	2	115.3340	0.155	3	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	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]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	114.0240	0.000	1	114.0240	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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)(C[6a]C[6a]O){1|N<3>,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>}	115.1460	0.000	1	115.1460	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]H)(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]S)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]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]O)(C[6a]C[6a]S){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>}	118.1430	0.000	1	118.1430	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[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]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]O)	N[6a](C[6a]C[6a]N[6a])(C[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)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	115.7140	0.000	1	115.7140	0.000	1	115.2624	1.438	12	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	0:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[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](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	116.6000	0.912	2	116.6000	0.832	2	116.6000	0.832	2	115.4061	1.442	15	115.4061	1.442	15	116.8122	2.236	143
643	217	371	6:SP2_SP2_SP2	C[6,6,6a]	N[6,6,6a]	N[6a]	4:3:2:	3:4:3:	3:3:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	N[6a](C[6,6,6a]N[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|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>}	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	119.7945	0.698	2	119.7945	0.487	2	119.7945	0.487	2	119.7945	0.487	2	119.7945	0.487	2	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O){3|C<3>}	119.1770	0.588	3	119.1770	0.346	3	119.1770	0.346	3	119.1770	0.346	3	119.1770	0.346	3	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6,6a]N[6,6a]S[6])(C[6a]C[6a]C){1|C<4>,3|C<3>}	124.4140	0.000	1	124.4140	0.000	1	124.4140	0.000	1	124.4140	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O)	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[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>}	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:3:	3:2:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a])	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	N[6a](C[6,6a]N[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	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>}	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	122.9707	2.747	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	122.7070	0.000	1	122.7070	0.000	1	122.7070	0.000	1	122.9707	2.747	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){2|H<1>,5|C<3>}	124.7440	0.000	1	124.7440	0.000	1	124.7440	0.000	1	122.9707	2.747	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.3960	0.000	1	124.3960	0.000	1	124.4657	0.194	3	124.4657	0.194	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.0640	0.000	1	124.0640	0.000	1	124.4657	0.194	3	124.4657	0.194	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<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>}	124.9370	0.000	1	124.9370	0.000	1	124.4657	0.194	3	124.4657	0.194	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:3:	3:4:3:	3:3:	N[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<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>}	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	125.1970	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:2:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,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|N<2>,1|O<2>,2|H<1>,3|C<3>}	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|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>}	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[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>,4|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(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]N[6,6a]C[6]){2|C<4>,3|C<3>,3|H<1>}	124.0027	0.431	4	124.0027	0.186	4	124.5056	0.326	9	124.5056	0.326	9	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	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>}	124.8980	0.311	3	124.8980	0.097	3	124.5056	0.326	9	124.5056	0.326	9	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|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>}	124.7860	0.000	1	124.7860	0.000	1	124.5056	0.326	9	124.5056	0.326	9	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){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[6,6a]N[6,6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	125.0590	0.000	1	125.0590	0.000	1	124.5056	0.326	9	124.5056	0.326	9	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	123.9770	0.000	1	123.9770	0.000	1	123.9770	0.000	1	124.4043	0.156	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N)	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[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a,6a]N){5|C<3>}	124.6180	0.195	2	124.6180	0.038	2	124.6180	0.038	2	124.4043	0.156	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[5a,6]N[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.4780	0.000	1	124.4780	0.000	1	124.4780	0.000	1	124.8016	0.100	7	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	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]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,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>}	124.8555	0.308	6	124.8555	0.095	6	124.8555	0.095	6	124.8016	0.100	7	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:4:2:	3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:N[6a]-2:	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[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(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]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[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|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>}	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a,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[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	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]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[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<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>}	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,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[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	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]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[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|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>}	124.3995	0.189	2	124.3995	0.036	2	124.3995	0.036	2	124.3995	0.036	2	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:4:2:	3:3:4:	3:3:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<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>}	122.6820	0.178	2	122.6820	0.032	2	122.6820	0.032	2	123.6800	3.004	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6,6a]	N[6,6a]	N[6a]	3:4:2:	3:3:4:	3:3:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	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>}	125.6760	0.000	1	125.6760	0.000	1	125.6760	0.000	1	123.6800	3.004	3	124.1941	0.984	38	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|N<2>}	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	119.3770	0.000	1	119.3770	0.000	1	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	118.4635	0.221	2	119.6082	0.333	22	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	119.7227	0.462	20	119.6082	0.333	22	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	121.0850	0.065	2	119.7914	0.642	13	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	118.4040	0.000	1	119.7914	0.642	13	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|N<3>,4|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	119.8455	0.067	2	119.7914	0.642	13	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	119.7145	0.631	2	119.7914	0.642	13	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{6|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	119.5990	0.597	6	119.7914	0.642	13	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[3x6a]-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](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	121.0810	0.000	1	121.0810	0.000	1	119.7061	0.472	37	119.7061	0.472	37	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[3x6a]-3:C[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](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2)	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C)	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[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	121.4070	2.790	2	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[3x6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[3x6a]-3:N[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](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[3x6a](C[6a,6a]N[6a]2)3	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	121.4070	2.790	2	119.7933	0.665	39	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	120.1053	0.225	3	119.4953	0.532	6	119.4953	0.532	6	119.4953	0.532	6	119.4953	0.532	6	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6,6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){3|C<3>}	118.8853	0.402	3	119.4953	0.532	6	119.4953	0.532	6	119.4953	0.532	6	119.4953	0.532	6	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	122.4310	0.000	1	122.1660	0.140	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	121.9010	0.000	1	122.1660	0.140	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.6000	0.000	1	120.2990	0.181	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	119.9980	0.000	1	120.2990	0.181	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	122.1150	0.000	2	122.1150	0.000	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[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](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C){3|C<3>}	120.5040	0.000	2	120.5040	0.000	2	121.2710	0.916	8	121.2710	0.916	8	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<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>}	124.3125	0.028	2	124.3533	0.005	3	124.1620	0.150	4	124.1620	0.150	4	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|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>}	124.4350	0.000	1	124.3533	0.005	3	124.1620	0.150	4	124.1620	0.150	4	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(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](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,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>}	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>}	123.5880	0.000	1	123.5880	0.000	1	124.1620	0.150	4	124.1620	0.150	4	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(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[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[5a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	124.0310	0.000	1	124.0310	0.000	1	124.0310	0.000	1	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	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,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<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>}	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-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,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)	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,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O){5|C<3>}	124.0540	0.215	2	124.0540	0.046	2	124.0540	0.046	2	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	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[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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{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>}	123.6830	0.137	2	123.9292	0.101	4	123.9639	0.043	10	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	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[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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{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>}	124.1755	0.207	2	123.9292	0.101	4	123.9639	0.043	10	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	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,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,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>}	124.0370	0.232	2	124.0040	0.016	5	123.9639	0.043	10	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	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,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|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>}	123.9820	0.050	3	124.0040	0.016	5	123.9639	0.043	10	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[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]-3:	C[6a,6a]-3:C[6a,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	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,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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<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>}	123.9020	0.000	1	123.9020	0.000	1	123.9639	0.043	10	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[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](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]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,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,3|C<3>}	123.8490	0.054	2	123.8490	0.003	2	123.8490	0.003	2	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.6310	0.000	1	123.6310	0.000	1	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	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,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>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	123.2650	0.000	1	122.8170	0.090	4	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){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>}	122.6250	0.000	1	122.8170	0.090	4	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){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>}	122.6890	0.000	2	122.8170	0.090	4	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N)	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	122.8420	0.000	1	122.8420	0.000	1	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){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>}	123.2270	0.000	1	123.2270	0.000	1	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N[6])	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,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,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>}	124.6286	0.184	5	124.6286	0.034	5	123.6668	0.734	13	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a,6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])	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,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|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>}	124.1760	0.000	1	124.1760	0.000	1	124.1760	0.000	1	123.8326	0.347	30	123.3760	1.490	42	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6,6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O){1|C<3>,2|C<4>}	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	119.4715	0.998	2	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6,6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6,6a]-3:N[6a]-2:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	119.4715	0.998	2	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	122.5810	0.000	1	122.5810	0.000	1	122.5810	0.000	1	122.5810	0.000	1	121.2780	2.051	5	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	120.7057	2.675	3	121.2780	2.051	5	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C){2|C<3>}	121.6500	0.000	2	121.6500	0.000	2	121.6500	0.000	2	120.7057	2.675	3	121.2780	2.051	5	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a,6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	121.2780	2.051	5	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	2:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|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>}	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){2|H<1>,3|C<3>}	126.9220	0.000	1	126.9220	0.000	1	126.9220	0.000	1	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.9560	0.089	2	125.9560	0.008	2	125.5575	0.476	22	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.7947	0.736	13	125.5383	0.527	19	125.5575	0.476	22	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.9244	0.215	5	125.5383	0.527	19	125.5575	0.476	22	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	125.2740	0.000	1	125.5383	0.527	19	125.5575	0.476	22	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.1270	0.000	1	125.1270	0.000	1	125.5575	0.476	22	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.3590	0.000	1	125.3590	0.000	1	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	125.3790	0.000	1	125.5713	0.641	15	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.7121	0.923	10	125.5713	0.641	15	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	125.4260	0.000	1	125.5713	0.641	15	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.5415	0.142	2	125.5713	0.641	15	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	124.5610	0.000	1	125.5713	0.641	15	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<1>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	126.0390	0.000	1	126.0390	0.000	1	125.5864	0.577	17	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,3|C<3>}	125.3220	0.000	1	125.5087	0.039	3	125.5087	0.039	3	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	125.6020	0.161	2	125.5087	0.039	3	125.5087	0.039	3	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	119.2425	0.218	2	119.2425	0.048	2	119.2425	0.048	2	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.7815	0.062	2	119.7815	0.004	2	119.7815	0.004	2	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	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>}	120.6365	0.224	2	120.0235	0.241	6	120.0235	0.241	6	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	119.7270	0.000	1	120.0235	0.241	6	120.0235	0.241	6	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.7137	0.114	3	120.0235	0.241	6	120.0235	0.241	6	124.5070	5.658	53	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,4|C<3>}	124.9330	0.000	1	124.9330	0.000	1	124.9330	0.000	1	124.5194	9.426	8	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(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]N[6a]H){1|H<1>,4|C<3>}	126.3964	0.215	5	126.3964	0.046	5	126.3964	0.046	5	124.5194	9.426	8	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){5|C<3>}	119.6200	0.055	2	119.6200	0.003	2	119.6200	0.003	2	124.5194	9.426	8	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|S<2>,3|C<3>}	126.7720	0.000	1	126.7720	0.000	1	126.7720	0.000	1	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,3|C<3>}	126.2825	0.114	2	126.2825	0.013	2	126.1157	0.058	4	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.1060	0.000	1	126.1060	0.000	1	126.1157	0.058	4	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	125.7920	0.000	1	125.7920	0.000	1	126.1157	0.058	4	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.2777	0.539	3	126.2777	0.291	3	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	127.6740	0.000	2	127.6740	0.000	2	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.9810	0.000	1	125.9810	0.000	1	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.0755	0.749	2	126.0755	0.561	2	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.2920	0.000	1	126.2920	0.000	1	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.1360	0.000	1	125.7970	0.874	2	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){2|C<4>,3|C<3>}	126.4580	0.000	1	125.7970	0.874	2	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.9587	0.605	3	125.9587	0.365	3	126.2911	0.583	14	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){1|S<4>,3|C<3>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<4>,3|C<3>}	125.3680	0.000	1	125.3680	0.000	1	125.3680	0.000	1	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	118.8705	0.095	2	118.8705	0.009	2	119.1377	0.219	3	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<3>,2|C<3>,2|C<4>}	119.6720	0.000	1	119.6720	0.000	1	119.1377	0.219	3	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	120.5433	0.658	3	120.5433	0.432	3	120.2720	0.288	6	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	119.7700	0.000	1	119.7700	0.000	1	120.2720	0.288	6	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:1:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	120.1160	0.235	2	120.1160	0.055	2	120.2720	0.288	6	124.2741	9.065	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	123.2050	0.000	1	123.6740	0.464	3	123.6865	0.310	4	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	123.9085	0.773	2	123.6740	0.464	3	123.6865	0.310	4	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.7240	0.000	1	123.7240	0.000	1	123.6865	0.310	4	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	125.9480	0.000	1	125.9480	0.000	1	125.9480	0.000	1	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,3|C<4>}	125.1020	0.000	1	125.1980	0.018	2	125.1980	0.018	2	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.2940	0.000	1	125.1980	0.018	2	125.1980	0.018	2	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.1880	0.154	2	124.1880	0.024	2	124.1880	0.024	2	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	125.0410	0.000	1	123.8905	0.589	4	123.8905	0.589	4	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<4>,2|C<3>,2|H<1>}	123.5070	0.040	3	123.8905	0.589	4	123.8905	0.589	4	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	124.8330	0.000	1	124.8330	0.000	1	124.8330	0.000	1	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:1:	3:3:	S-2:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>,1|H<1>}	121.8107	0.145	3	121.8107	0.021	3	121.8107	0.021	3	123.7384	1.636	18	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O){1|S<2>,4|C<3>}	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	126.5090	0.000	1	126.2065	0.183	2	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|S<2>,4|C<3>}	125.9040	0.000	1	126.2065	0.183	2	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O){1|S<2>,4|C<3>}	127.1870	0.000	1	127.1870	0.000	1	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	127.1660	0.000	1	127.1660	0.000	1	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|C<2>,1|N<3>,3|C<3>}	126.5130	0.381	3	126.5130	0.145	3	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	126.4780	0.000	1	126.9330	0.414	2	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	127.3880	0.000	1	126.9330	0.414	2	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){4|C<3>}	126.1640	0.000	1	126.1640	0.000	1	126.6335	0.254	10	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	126.4930	0.052	3	126.4930	0.003	3	126.5890	0.068	5	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(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]N[6a]O){1|H<1>,4|C<3>}	126.7330	0.444	2	126.7330	0.197	2	126.5890	0.068	5	126.5738	0.203	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	127.0830	0.000	1	127.0830	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	126.0030	0.000	1	126.0030	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	127.5850	0.000	1	127.5850	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	126.4820	0.000	1	126.4820	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|O<2>,3|C<3>}	127.0240	0.000	1	127.0240	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	127.9560	0.000	1	127.9410	0.143	3	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|C<3>,2|N<2>}	127.9335	0.534	2	127.9410	0.143	3	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	126.9925	0.504	2	126.9925	0.254	2	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|O<2>,3|C<3>}	126.6870	0.000	1	126.6870	0.000	1	127.1520	0.465	11	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	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>}	125.5650	0.307	2	125.5650	0.094	2	125.5650	0.094	2	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<2>,2|C<3>,2|C<4>}	125.4570	0.517	3	125.4570	0.267	3	125.2598	0.177	13	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<2>,2|C<3>,2|C<4>}	125.4050	0.580	2	125.4050	0.336	2	125.2598	0.177	13	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	124.6520	0.000	1	125.1496	0.142	8	125.2598	0.177	13	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<2>,2|C<3>,2|C<4>}	125.2950	0.372	4	125.1496	0.142	8	125.2598	0.177	13	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){2|C<4>,3|C<3>}	125.1217	0.350	3	125.1496	0.142	8	125.2598	0.177	13	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|H<1>,2|C<3>,2|C<4>}	124.1570	0.000	1	124.1570	0.000	1	124.1570	0.000	1	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	124.8810	0.000	1	124.8810	0.000	1	124.8810	0.000	1	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:S-2:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){1|S<4>,3|C<3>}	122.5540	0.000	1	122.5540	0.000	1	122.5540	0.000	1	125.7572	1.830	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[5a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a]){2|H<1>,5|C<3>}	123.8745	0.487	2	123.8745	0.237	2	123.8745	0.237	2	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])	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[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|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>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,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[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	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[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|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>}	124.2605	1.838	2	124.2605	3.377	2	124.2605	3.377	2	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	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]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){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>}	122.7230	0.000	1	122.5480	0.426	3	123.1172	1.580	4	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	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]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){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>}	123.0950	0.000	1	122.5480	0.426	3	123.1172	1.580	4	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	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]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){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>}	121.8260	0.000	1	122.5480	0.426	3	123.1172	1.580	4	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	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]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	124.8250	0.000	1	124.8250	0.000	1	123.1172	1.580	4	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	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](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	124.1290	0.000	1	124.1290	0.000	1	124.1290	0.000	1	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	121.9710	0.000	1	121.9710	0.000	1	123.6220	5.452	2	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.2730	0.000	1	125.2730	0.000	1	123.6220	5.452	2	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6986	0.833	30	123.6332	0.978	53	123.6332	0.978	53	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	123.0056	1.122	11	123.6332	0.978	53	123.6332	0.978	53	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.8133	1.055	9	123.6332	0.978	53	123.6332	0.978	53	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	124.7393	0.635	3	123.6332	0.978	53	123.6332	0.978	53	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	125.5120	0.175	2	124.8560	0.415	6	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.5280	0.502	4	124.8560	0.415	6	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.0275	0.151	2	124.0275	0.023	2	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.5660	0.000	2	124.5660	0.000	2	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.5968	0.655	25	123.5067	0.437	29	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	122.5350	0.000	1	123.5067	0.437	29	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.2030	0.000	1	123.5067	0.437	29	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	123.0175	0.483	2	123.5067	0.437	29	123.7953	0.653	39	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|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>}	125.0130	0.000	1	125.0130	0.000	1	123.4313	1.088	6	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	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>}	123.6355	0.366	2	123.6355	0.134	2	123.4313	1.088	6	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	122.6990	0.000	1	122.7680	0.702	3	123.4313	1.088	6	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|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>}	121.9670	0.000	1	122.7680	0.702	3	123.4313	1.088	6	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<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>}	123.6380	0.000	1	122.7680	0.702	3	123.4313	1.088	6	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	124.7335	0.431	2	124.7335	0.185	2	124.6847	0.100	3	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	124.5870	0.000	1	124.5870	0.000	1	124.6847	0.100	3	123.6945	0.926	113	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	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]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(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]N[6a]){1|H<1>,6|C<3>}	124.0350	0.000	1	123.6655	0.273	2	123.6655	0.273	2	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	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]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(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]N[6a]){1|H<1>,6|C<3>}	123.2960	0.000	1	123.6655	0.273	2	123.6655	0.273	2	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	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]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){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>}	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|S<2>,4|C<3>}	124.3210	0.000	1	124.3210	0.000	1	124.3210	0.000	1	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	123.5213	0.601	3	123.5845	0.257	4	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	123.7740	0.000	1	123.5845	0.257	4	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,4|C<3>}	123.1690	0.000	1	123.1690	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	123.2890	0.000	1	123.2890	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	123.9250	0.000	1	123.6850	0.115	2	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	123.4450	0.000	1	123.6850	0.115	2	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	123.4640	0.000	1	123.4640	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,2|C<3>,2|N<2>}	124.0730	0.000	1	124.0730	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	123.4335	0.131	4	123.4335	0.017	4	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	122.1070	0.000	1	122.1070	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){4|C<3>}	123.2500	0.000	1	123.2500	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	123.0160	0.000	1	123.0160	0.000	1	123.4006	0.225	17	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N){1|C<4>,3|C<3>}	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(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]N[6a]N){1|H<1>,4|C<3>}	122.5770	0.000	1	122.5770	0.000	1	123.6060	0.697	5	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N){5|C<3>}	123.0230	0.000	1	123.0230	0.000	1	123.6060	0.697	5	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	124.4380	0.055	2	124.4380	0.003	2	123.6060	0.697	5	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	123.5540	0.000	1	123.5540	0.000	1	123.6060	0.697	5	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|N<2>}	123.8350	0.000	1	123.7695	0.009	2	123.7695	0.009	2	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,1|N<3>,3|C<3>}	123.7040	0.000	1	123.7695	0.009	2	123.7695	0.009	2	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5])	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[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[5]){2|C<4>,4|C<3>}	122.6643	0.148	3	122.6643	0.022	3	122.6643	0.022	3	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6])	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,2|C<4>,4|C<3>}	124.0985	0.378	2	123.8004	0.214	5	123.6261	0.229	8	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|S<2>,2|C<4>,4|C<3>}	123.6017	0.456	3	123.8004	0.214	5	123.6261	0.229	8	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,4|C<3>}	123.3357	0.414	3	123.3357	0.171	3	123.6261	0.229	8	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<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>}	124.1210	0.000	1	124.1210	0.000	1	124.1210	0.000	1	123.4217	0.383	42	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	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]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){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>}	124.0677	0.511	3	124.0677	0.261	3	124.2089	0.184	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,6|C<3>}	123.9870	0.000	1	123.9870	0.000	1	124.2089	0.184	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	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]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){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>}	124.2180	0.000	1	124.3380	0.189	5	124.2089	0.184	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	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]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){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>}	124.3680	0.496	4	124.3380	0.189	5	124.2089	0.184	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[5a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a])	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a]N[6a]){1|C<4>,1|S<2>,5|C<3>}	127.0260	0.000	1	127.0260	0.000	1	127.0260	0.000	1	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	122.2100	0.000	1	122.2100	0.000	1	124.0437	2.661	3	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	124.5880	0.000	1	124.5880	0.000	1	124.0437	2.661	3	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	125.3330	0.000	1	125.3330	0.000	1	124.0437	2.661	3	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<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>}	124.1040	0.447	2	124.1040	0.200	2	124.1790	0.127	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<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>}	123.8570	0.000	1	123.8570	0.000	1	124.1790	0.127	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	124.0780	0.000	1	124.0780	0.000	1	124.1790	0.127	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<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>}	124.2936	0.395	5	124.2936	0.156	5	124.1790	0.127	9	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N[6]){1|O<2>,3|C<3>,3|C<4>}	125.2270	0.000	1	125.2270	0.000	1	124.3790	1.438	2	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:3:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	123.5310	0.000	1	123.5310	0.000	1	124.3790	1.438	2	124.2586	0.775	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:1:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.8217	0.270	3	125.8217	0.073	3	125.8217	0.073	3	125.8217	0.073	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:2:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	123.8505	0.359	2	123.8505	0.129	2	123.5820	0.281	3	123.5820	0.281	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:2:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,3|C<3>}	123.0450	0.000	1	123.0450	0.000	1	123.5820	0.281	3	123.5820	0.281	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(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]N[6a]C){1|H<1>,4|C<3>}	123.6340	0.000	1	123.6340	0.000	1	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	123.6570	0.000	1	123.5265	0.373	13	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,4|C<3>}	123.9133	0.271	3	123.5265	0.373	13	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	123.2220	0.177	3	123.5265	0.373	13	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	123.8872	0.568	4	123.5265	0.373	13	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,4|C<3>}	122.6160	0.615	2	123.5265	0.373	13	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){5|C<3>}	122.2690	0.000	1	122.2690	0.000	1	123.4498	0.428	15	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]C){1|N<3>,3|C<3>}	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.2795	0.435	2	122.2795	0.189	2	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.6370	0.085	2	122.6370	0.007	2	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.1660	0.226	3	122.1660	0.051	3	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.4050	0.000	1	122.4050	0.000	1	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	121.9850	0.611	2	121.9850	0.373	2	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.7590	0.426	3	122.7590	0.181	3	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:3:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	123.6150	0.000	1	123.6150	0.000	1	122.4713	0.267	14	122.9333	0.624	30	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	123.8550	0.571	5	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	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>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	123.8550	0.571	5	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	124.2290	0.000	1	124.2290	0.000	1	124.2037	0.053	3	123.8550	0.571	5	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	124.4210	0.000	1	124.4210	0.000	1	124.2037	0.053	3	123.8550	0.571	5	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:4:	3:3:4:	3:3:	N[6a]-2:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	123.9610	0.000	1	123.9610	0.000	1	124.2037	0.053	3	123.8550	0.571	5	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:4:3:	3:3:1:	3:3:	N[6a]-2:C[5]-4:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	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>}	123.3440	0.000	1	123.3440	0.000	1	123.3440	0.000	1	123.3440	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:2:1:	3:2:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	115.4650	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:2:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|H<1>,2|C<3>}	127.6240	0.000	1	127.6240	0.000	1	126.2795	3.615	2	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	124.9350	0.000	1	124.9350	0.000	1	126.2795	3.615	2	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>}	124.1240	0.782	2	124.0427	0.326	3	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	123.8800	0.000	1	124.0427	0.326	3	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	124.5880	0.000	1	124.7585	0.058	2	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,2|H<1>}	124.9290	0.000	1	124.7585	0.058	2	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	124.3867	0.421	3	124.3148	0.101	5	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,2|H<1>}	124.2070	0.093	2	124.3148	0.101	5	124.3395	0.176	11	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>}	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	120.7938	0.972	4	120.7938	0.944	4	120.5822	0.932	5	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	119.7360	0.000	1	119.7360	0.000	1	120.5822	0.932	5	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	119.0030	0.967	3	119.0030	0.936	3	119.0030	0.936	3	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	118.2530	0.178	2	118.2530	0.032	2	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|H<1>}	118.9115	0.257	2	118.9115	0.066	2	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|H<1>}	116.4870	0.000	1	116.4870	0.000	1	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	118.8950	1.933	2	118.8724	1.199	80	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	119.2577	0.700	45	118.8724	1.199	80	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	118.4557	1.147	32	118.8724	1.199	80	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	114.8240	0.000	1	118.8724	1.199	80	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	114.1440	0.113	2	114.1440	0.013	2	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	119.3745	0.173	4	119.3745	0.030	4	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>}	118.9090	0.000	1	118.9090	0.000	1	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,2|C<3>}	118.1110	0.000	1	118.1110	0.000	1	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	117.4560	1.179	3	117.4560	1.389	3	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){2|H<1>,3|C<3>}	117.5870	0.000	1	117.5870	0.000	1	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	117.6680	0.000	1	117.9945	0.213	2	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2{1|C<3>,2|H<1>}	118.3210	0.000	1	117.9945	0.213	2	118.6804	1.594	99	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|C<2>,1|H<1>,3|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.5460	0.126	2	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	119.7970	0.000	1	119.7970	0.000	1	119.5460	0.126	2	119.4290	5.209	125	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:2:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,4|C<3>}	116.0270	0.337	4	116.0270	0.114	4	116.0270	0.114	4	116.0270	0.114	4	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	125.9875	0.231	2	125.6775	0.557	4	125.6775	0.557	4	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	124.5820	0.000	1	125.6775	0.557	4	125.6775	0.557	4	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	126.1530	0.000	1	125.6775	0.557	4	125.6775	0.557	4	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-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])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|H<1>,2|C<3>}	118.9855	0.128	2	118.9855	0.016	2	118.9855	0.016	2	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	118.0220	0.000	1	118.0220	0.000	1	118.6246	0.642	7	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,4|C<3>}	119.3990	0.000	1	119.3990	0.000	1	118.6246	0.642	7	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	118.6880	1.168	3	118.6880	1.365	3	118.6246	0.642	7	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,4|C<3>}	N[6a](C[6a]N[6a]O)2{3|C<3>}	118.4435	0.282	2	118.4435	0.080	2	118.6246	0.642	7	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	116.9970	0.000	1	116.9970	0.000	1	116.8930	0.008	3	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	116.8410	0.001	2	116.8410	0.000	2	116.8930	0.008	3	120.1216	11.163	17	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<3>}	126.7340	0.000	1	126.7340	0.000	1	126.5170	0.094	2	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	126.3000	0.000	1	126.3000	0.000	1	126.5170	0.094	2	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	126.8925	0.583	2	126.8925	0.340	2	126.8925	0.340	2	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,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]H){1|C<4>,1|H<1>,3|C<3>}	126.0560	0.117	2	126.0560	0.014	2	126.0560	0.014	2	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	118.2265	0.303	2	118.2265	0.092	2	118.2265	0.092	2	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.8800	0.000	1	118.8800	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.2540	0.000	1	118.2540	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,4|C<3>}	117.8890	0.000	1	117.8890	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	117.5340	0.000	1	117.5340	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	119.3010	0.081	3	118.6301	1.815	12	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.4064	1.506	9	118.6301	1.815	12	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|C<4>}	117.5690	0.294	2	117.5690	0.087	2	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.8020	0.000	1	118.8020	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.1150	0.000	1	119.1150	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.4830	0.000	1	119.4830	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.3940	0.000	1	119.4173	0.963	14	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.4191	1.021	13	119.4173	0.963	14	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	117.7330	0.000	1	117.7330	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	121.8760	0.000	1	121.8760	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	118.0360	0.000	1	118.0360	0.000	1	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	118.4105	0.008	2	118.4105	0.000	2	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	117.5225	0.210	4	117.5225	0.044	4	118.7512	1.457	44	119.6238	7.530	52	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	126.6430	0.000	1	126.6430	0.000	1	126.6430	0.000	1	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	126.0400	0.517	3	126.0400	0.267	3	126.0400	0.267	3	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	118.8310	0.000	1	118.8310	0.000	1	118.8310	0.000	1	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	119.5890	0.000	1	119.9855	0.314	2	119.9855	0.314	2	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	120.3820	0.000	1	119.9855	0.314	2	119.9855	0.314	2	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	118.7595	0.428	2	118.7595	0.183	2	118.7595	0.183	2	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	3:4:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	121.8511	14.601	10	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	126.2950	0.000	1	126.2950	0.000	1	126.2950	0.000	1	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	120.1730	0.000	1	120.1730	0.000	1	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	120.0530	0.000	1	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|C<3>,1|C<4>}	119.2283	0.438	6	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	118.5572	1.268	4	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.7708	1.367	9	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.9970	0.000	1	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.8930	0.953	6	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.1666	1.631	7	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	118.3655	0.231	2	118.7734	1.396	36	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>}	116.9090	0.000	1	116.9090	0.000	1	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.8700	0.000	1	118.8700	0.000	1	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.7820	0.000	1	118.7820	0.000	1	118.7644	1.392	40	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.8850	0.000	1	118.9646	0.184	5	118.8590	0.214	6	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.9845	0.493	4	118.9646	0.184	5	118.8590	0.214	6	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:1:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.3310	0.000	1	118.3310	0.000	1	118.8590	0.214	6	119.0457	2.926	48	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	124.5970	0.000	1	124.5970	0.000	1	124.9062	1.675	4	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	124.4510	0.000	1	124.4510	0.000	1	124.9062	1.675	4	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	123.8000	0.000	1	125.2885	4.431	2	124.9062	1.675	4	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(H)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2{1|C<3>,2|H<1>}	126.7770	0.000	1	125.2885	4.431	2	124.9062	1.675	4	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|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>}	124.0710	0.000	1	124.0710	0.000	1	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>,1|H<1>}	123.6590	0.000	1	123.6950	0.002	4	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	123.7070	0.045	3	123.6950	0.002	4	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|H<1>}	124.6900	0.000	1	124.6900	0.000	1	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	123.4700	0.000	1	123.4700	0.000	1	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	124.0420	0.000	1	124.0420	0.000	1	123.8816	0.147	8	124.2232	0.805	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:2:	3:2:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:3:	3:2:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	123.2947	0.767	4	123.2947	0.588	4	123.2947	0.588	4	123.2947	0.588	4	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	123.2325	0.723	2	123.2325	0.523	2	123.2325	0.523	2	123.2325	0.523	2	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:2:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,2|C<4>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	122.8320	0.000	1	122.8320	0.000	1	122.8320	0.000	1	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	126.0570	0.000	1	126.2853	0.045	3	125.3684	0.788	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	126.4740	0.000	1	126.2853	0.045	3	125.3684	0.788	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	126.3250	0.000	1	126.2853	0.045	3	125.3684	0.788	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(CH3)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	124.6808	0.275	4	124.6808	0.075	4	125.3684	0.788	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	124.5930	0.000	1	125.0733	0.174	3	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|N<2>}	125.3135	0.037	2	125.0733	0.174	3	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	125.4130	0.000	1	124.6857	0.848	4	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|C<4>}	123.4090	0.000	1	124.6857	0.848	4	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	124.6180	0.000	1	124.6857	0.848	4	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<4>,2|C<3>}	125.3030	0.000	1	124.6857	0.848	4	124.8519	0.525	7	124.9414	0.915	16	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:2:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<4>,1|N<2>}	122.4927	0.757	3	122.4927	0.573	3	122.4927	0.573	3	122.4927	0.573	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,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])(H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	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])(H){5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	124.6010	0.000	1	124.6010	0.000	1	124.7960	0.076	2	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	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])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	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])(H){1|H<1>,2|N<2>,3|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>}	124.9910	0.000	1	124.9910	0.000	1	124.7960	0.076	2	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.1797	0.214	4	122.1797	0.046	4	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	123.5671	0.410	9	123.5671	0.168	9	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.8550	0.000	1	122.8550	0.000	1	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	124.4005	0.021	2	124.4005	0.000	2	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.6765	0.083	2	122.6765	0.007	2	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	123.6900	0.037	2	123.6900	0.001	2	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	123.2695	0.518	2	122.3934	0.450	7	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	121.9630	0.228	4	122.3934	0.450	7	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.3630	0.000	1	122.3934	0.450	7	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.0050	0.000	1	122.0050	0.000	1	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,3|C<3>}	123.4900	0.000	1	123.4900	0.000	1	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	122.8525	0.360	2	122.4836	0.229	9	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	122.1298	0.488	4	122.4836	0.229	9	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.7093	0.172	3	122.4836	0.229	9	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.3367	0.023	3	122.3367	0.001	3	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>,1|H<1>}	121.9710	0.000	1	122.0265	0.006	2	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.0820	0.000	1	122.0265	0.006	2	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	122.1910	0.000	1	122.9476	0.263	18	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	122.8715	0.439	13	122.9476	0.263	18	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	123.2713	0.547	3	122.9476	0.263	18	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	123.7220	0.000	1	122.9476	0.263	18	122.8513	0.489	61	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	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>}	122.4525	0.658	2	122.4525	0.433	2	122.4525	0.433	2	122.9120	0.589	66	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:2:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<2>}	122.8477	0.200	3	122.8477	0.040	3	122.8477	0.040	3	122.8477	0.040	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(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]N[6a]){1|H<1>,1|O<2>,5|C<3>}	123.2280	0.000	1	123.2280	0.000	1	123.2280	0.000	1	121.7367	0.553	6	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	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]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<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>}	121.3975	0.145	4	121.3975	0.021	4	121.3975	0.021	4	121.7367	0.553	6	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<3>}	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	121.7367	0.553	6	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a])	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.7375	0.062	2	123.7375	0.004	2	123.7375	0.004	2	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	C[6a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a,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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	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]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){2|C<4>,5|C<3>}	124.8435	0.043	2	124.8435	0.002	2	124.8435	0.002	2	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	123.7960	0.000	1	123.7960	0.000	1	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	124.4515	0.400	14	124.4515	0.160	14	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	123.5080	0.000	1	123.5080	0.000	1	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	123.2000	0.000	1	123.2000	0.000	1	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	123.7920	0.000	1	123.7920	0.000	1	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>}	123.7160	0.000	1	123.7160	0.000	1	124.2281	0.277	19	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	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]O)(CH3)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N)	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]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	124.4660	0.000	1	124.4660	0.000	1	124.4660	0.000	1	124.1844	0.364	25	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	4:3:2:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|N<2>,2|C<4>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:3:	4:3:3:	3:3:	N[6a]-3:N[6a]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|C<4>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	125.2860	0.162	4	125.2860	0.026	4	125.2860	0.026	4	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	123.1050	0.000	1	123.1050	0.000	1	122.7636	0.117	7	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	123.0260	0.000	1	123.0260	0.000	1	122.7636	0.117	7	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|H<1>}	122.5867	0.118	3	122.5110	0.032	4	122.7636	0.117	7	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	122.2840	0.000	1	122.5110	0.032	4	122.7636	0.117	7	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:1:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|H<1>,2|C<3>}	123.1700	0.000	1	123.1700	0.000	1	122.7636	0.117	7	123.6808	1.698	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:2:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	122.2130	0.000	1	122.2130	0.000	1	122.2130	0.000	1	122.2130	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	121.4500	0.000	1	121.4500	0.000	1	122.8306	1.812	5	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.4540	0.000	1	122.5135	0.007	2	122.8306	1.812	5	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,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>}	122.5730	0.000	1	122.5135	0.007	2	122.8306	1.812	5	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.5920	0.000	1	122.5920	0.000	1	122.8306	1.812	5	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	125.0840	0.000	1	125.0840	0.000	1	122.8306	1.812	5	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:3:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,3|C<3>}	122.1180	0.000	2	122.1180	0.000	2	122.1180	0.000	2	122.6270	1.329	7	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	122.2933	0.097	4	122.2933	0.009	4	122.7907	1.089	9	122.8913	0.921	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,2|C<4>}	122.7230	0.000	1	122.7230	0.000	1	122.7907	1.089	9	122.8913	0.921	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	122.5770	0.366	3	122.5770	0.134	3	122.7907	1.089	9	122.8913	0.921	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C){1|C<2>,1|C<3>,1|C<4>}	125.4890	0.000	1	125.4890	0.000	1	122.7907	1.089	9	122.8913	0.921	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:4:	3:3:4:	3:3:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,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>}	123.3440	0.071	2	123.3440	0.005	2	123.3440	0.005	2	122.8913	0.921	11	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	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])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[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])(H){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|N<2>,2|H<1>,4|C<3>}	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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]O)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[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]O)(H){4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	121.7600	0.000	1	121.7600	0.000	1	122.6537	0.924	7	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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]O)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	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]O)(H){1|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>}	121.7785	0.146	2	122.0080	0.169	3	122.6537	0.924	7	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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]O)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	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]O)(H){1|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>}	122.4670	0.000	1	122.0080	0.169	3	122.6537	0.924	7	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	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)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	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)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){2|H<1>,3|C<3>}	123.0820	0.000	1	123.0820	0.000	1	122.6537	0.924	7	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	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)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	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)(H){1|C<3>,1|O<2>,2|N<2>}	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>}	123.8550	0.297	2	123.8550	0.088	2	122.6537	0.924	7	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	124.9870	0.000	1	124.9870	0.000	1	126.6845	5.763	2	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])2{1|H<1>,2|N<2>,3|C<3>}	128.3820	0.000	1	128.3820	0.000	1	126.6845	5.763	2	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:	N[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]2){2|H<1>,3|C<3>}	123.8235	0.450	2	123.8235	0.203	2	123.8235	0.203	2	123.7459	3.613	12	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	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])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	122.0660	0.000	1	122.0660	0.000	1	122.0660	0.000	1	122.0660	0.000	1	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[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]2)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	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]2)2{3|H<1>,7|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	124.0300	0.031	2	124.0300	0.001	2	124.0300	0.001	2	124.3763	0.360	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:3:	3:3:	N[6a]-3: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]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]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){5|C<3>}	125.0690	0.000	1	125.0690	0.000	1	125.0690	0.000	1	124.3763	0.360	3	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:	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])(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[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])(CH3){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|C<4>,1|H<1>,1|N<2>,4|C<3>}	125.8790	0.000	1	125.8790	0.000	1	125.8790	0.000	1	125.4085	0.443	2	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:	N[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C-4:	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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	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,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	125.4085	0.443	2	122.5089	7.964	827	122.4584	7.545	965
643	217	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:3:	3:3:3:	3:3:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[5])	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	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>}	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	122.5089	7.964	827	122.4584	7.545	965